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이름: 1,1-dimethylethyl 4-[4-[1-ethyl-3-(4-nitrophenyl)-1H-pyrazol-4-yl]-1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-1(2H)-pyridinecarboxylate

IUPAC: tert-butyl 4-[1-(benzenesulfonyl)-4-[1-ethyl-3-(4-nitrophenyl)pyrazol-4-yl]pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate

SMILES: CCn1cc(-c2ccnc3c2cc(C2=CCN(C(=O)OC(C)(C)C)CC2)n3S(=O)(=O)c2ccccc2)c(-c2ccc([N+](=O)[O-])cc2)n1

Canonical SMILES: CCN1C=C(C(=N1)C2=CC=C(C=C2)[N+](=O)[O-])C3=C4C=C(N(C4=NC=C3)S(=O)(=O)C5=CC=CC=C5)C6=CCN(CC6)C(=O)OC(C)(C)C

분자식: C34H34N6O6S

분자량: 654.70

InChIKey: IUFNJBSBENFDKX-UHFFFAOYSA-N

InChI: InChI=1S/C34H34N6O6S/c1-5-38-22-29(31(36-38)24-11-13-25(14-12-24)40(42)43)27-15-18-35-32-28(27)21-30(39(32)47(44,45)26-9-7-6-8-10-26)23-16-19-37(20-17-23)33(41)46-34(2,3)4/h6-16,18,21-22H,5,17,19-20H2,1-4H3

PubChem CID: 68998400 →

동의어

SCHEMBL4312145IUFNJBSBENFDKX-UHFFFAOYSA-N1,1-dimethylethyl 4-[4-[1-ethyl-3-(4-nitrophenyl)-1H-pyrazol-4-yl]-1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-1 (2H)-pyridinecarboxylate1,1-dimethylethyl 4-[4-[1-ethyl-3-(4-nitrophenyl)-1H-pyrazol-4-yl]-1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-1(2H)-pyridinecarboxylate

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