2-oxidanylidene-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]-3,4-dihydro-1H-quinoline-6-sulfonamide

Systemtic Name: 2-oxidanylidene-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]-3,4-dihydro-1H-quinoline-6-sulfonamide Openeye Name: 2-oxo-N-[4-(3-pyridylmethylsulfanyl)phenyl]-3,4-dihydro-1H-quinoline-6-sulfonamide CAS Name: 2-oxo-N-[4-(3-pyridinylmethylthio)phenyl]-3,4-dihydro-1H-quinoline-6-sulfonamide IUPAC Name: 2-oxo-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]-3,4-dihydro-1H-quinoline-6-sulfonamide Traditional Name: 2-keto-N-[4-(3-pyridylmethylthio)phenyl]-3,4-dihydro-1H-quinoline-6-sulfonamide Formula: C21H19N3O3S2 MolecularWeight: 425.52386

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)NC2=C1C=C(C=C2)S(=O)(=O)NC3=CC=C(C=C3)SCC4=CN=CC=C4

Isomeric SMILES

C1CC(=O)NC2=C1C=C(C=C2)S(=O)(=O)NC3=CC=C(C=C3)SCC4=CN=CC=C4

InChI

InChI=1S/C21H19N3O3S2/c25-21-10-3-16-12-19(8-9-20(16)23-21)29(26,27)24-17-4-6-18(7-5-17)28-14-15-2-1-11-22-13-15/h1-2,4-9,11-13,24H,3,10,14H2,(H,23,25)