이름: product
IUPAC: N-[2-[3-(4-chlorophenyl)prop-2-enylamino]ethyl]isoquinoline-5-sulfonamide
SMILES:
O=S(=O)(NCCNCC=Cc1ccc(Cl)cc1)c1cccc2cnccc12Canonical SMILES:
C1=CC2=C(C=CN=C2)C(=C1)S(=O)(=O)NCCNCC=CC3=CC=C(C=C3)Cl분자식: C20H20ClN3O2S
분자량: 401.90
InChIKey: QPBVZAIIDPNCAY-UHFFFAOYSA-N
InChI:
PubChem CID: 176156 →InChI=1S/C20H20ClN3O2S/c21-18-8-6-16(7-9-18)3-2-11-22-13-14-24-27(25,26)20-5-1-4-17-15-23-12-10-19(17)20/h1-10,12,15,22,24H,11,13-14H2동의어
SCHEMBL9587855QPBVZAIIDPNCAY-UHFFFAOYSA-NN-[2-(4-Chlorocinnamylamino)ethyl]-5-isoquinolinesulfonamide