Cc1ccc(S(=O)(=O)N(C)CC(=O)N(Cc2ccc(-c3ccc(Br)cc3)cc2)c2ccc(C(=O)OCc3ccccc3)c(OCc3ccccc3)c2)cc1

이름: Aryl halide

IUPAC: benzyl 4-[[4-(4-bromophenyl)phenyl]methyl-[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]amino]-2-phenylmethoxybenzoate

SMILES: Cc1ccc(S(=O)(=O)N(C)CC(=O)N(Cc2ccc(-c3ccc(Br)cc3)cc2)c2ccc(C(=O)OCc3ccccc3)c(OCc3ccccc3)c2)cc1

Canonical SMILES: CC1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)N(CC2=CC=C(C=C2)C3=CC=C(C=C3)Br)C4=CC(=C(C=C4)C(=O)OCC5=CC=CC=C5)OCC6=CC=CC=C6

분자식: C44H39BrN2O6S

분자량: 803.80

InChIKey: KAVJVQVKABFEQM-UHFFFAOYSA-N

InChI:

InChI=1S/C44H39BrN2O6S/c1-32-13-24-40(25-14-32)54(50,51)46(2)29-43(48)47(28-33-15-17-36(18-16-33)37-19-21-38(45)22-20-37)39-23-26-41(44(49)53-31-35-11-7-4-8-12-35)42(27-39)52-30-34-9-5-3-6-10-34/h3-27H,28-31H2,1-2H3

PubChem CID: 89765210 →

동의어

SCHEMBL15207516KAVJVQVKABFEQM-UHFFFAOYSA-Nbenzyl 2-(benzyloxy)-4-(N((4'-bromo-[1,1'-biphenyl]-4-yl)methyl)-2-(N,4-dimethylphenylsulfonamido)acetamido)benzoatebenzyl 2-(Benzyloxy)-4-(N-((4'-bromo-[1,1'-biphenyl]-4-yl)methyl)-2-(N,4-dimethylphenylsulfonamido)acetamido)benzoate

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