(E)-N-[1-(azepan-1-yl)-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-2-phenyl-ethenesulfonamide

Systemtic Name: (E)-N-[1-(azepan-1-yl)-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-2-phenyl-ethenesulfonamide Openeye Name: (E)-N-[1-(azepane-1-carbonyl)-3-methylsulfanyl-propyl]-2-phenyl-ethenesulfonamide CAS Name: (E)-N-[1-(1-azepanyl)-4-(methylthio)-1-oxobutan-2-yl]-2-phenylethenesulfonamide IUPAC Name: (E)-N-[1-(azepan-1-yl)-4-methylsulfanyl-1-oxobutan-2-yl]-2-phenylethenesulfonamide Traditional Name: (E)-N-[1-(azepane-1-carbonyl)-3-(methylthio)propyl]-2-phenyl-ethenesulfonamide Formula: C19H28N2O3S2 MolecularWeight: 396.56722

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)N1CCCCCC1)NS(=O)(=O)C=CC2=CC=CC=C2

Isomeric SMILES

CSCCC(C(=O)N1CCCCCC1)NS(=O)(=O)/C=C/C2=CC=CC=C2

InChI

InChI=1S/C19H28N2O3S2/c1-25-15-11-18(19(22)21-13-7-2-3-8-14-21)20-26(23,24)16-12-17-9-5-4-6-10-17/h4-6,9-10,12,16,18,20H,2-3,7-8,11,13-15H2,1H3/b16-12+