N-[2-(4-methylsulfanylphenyl)ethyl]-2-oxidanylidene-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide

Systemtic Name: N-[2-(4-methylsulfanylphenyl)ethyl]-2-oxidanylidene-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide Openeye Name: N-[2-(4-methylsulfanylphenyl)ethyl]-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide CAS Name: N-[2-[4-(methylthio)phenyl]ethyl]-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide IUPAC Name: N-[2-(4-methylsulfanylphenyl)ethyl]-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide Traditional Name: 2-keto-N-[2-[4-(methylthio)phenyl]ethyl]-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide Formula: C19H22N2O3S2 MolecularWeight: 390.51958

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)CCNS(=O)(=O)C2=CC3=C(C=C2)NC(=O)CCC3

Isomeric SMILES

CSC1=CC=C(C=C1)CCNS(=O)(=O)C2=CC3=C(C=C2)NC(=O)CCC3

InChI

InChI=1S/C19H22N2O3S2/c1-25-16-7-5-14(6-8-16)11-12-20-26(23,24)17-9-10-18-15(13-17)3-2-4-19(22)21-18/h5-10,13,20H,2-4,11-12H2,1H3,(H,21,22)