6-[1-(4-chlorophenyl)carbonyl-2-oxidanylidene-azepan-3-yl]sulfanyl-N,N-dimethyl-pyridine-3-sulfonamide

Systemtic Name: 6-[1-(4-chlorophenyl)carbonyl-2-oxidanylidene-azepan-3-yl]sulfanyl-N,N-dimethyl-pyridine-3-sulfonamide Openeye Name: 6-[1-(4-chlorobenzoyl)-2-oxo-azepan-3-yl]sulfanyl-N,N-dimethyl-pyridine-3-sulfonamide CAS Name: 6-[[1-[(4-chlorophenyl)-oxomethyl]-2-oxo-3-azepanyl]thio]-N,N-dimethyl-3-pyridinesulfonamide IUPAC Name: 6-[1-(4-chlorobenzoyl)-2-oxoazepan-3-yl]sulfanyl-N,N-dimethylpyridine-3-sulfonamide Traditional Name: 6-[[1-(4-chlorobenzoyl)-2-keto-azepan-3-yl]thio]-N,N-dimethyl-pyridine-3-sulfonamide Formula: C20H22ClN3O4S2 MolecularWeight: 467.98938

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CN=C(C=C1)SC2CCCCN(C2=O)C(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CN(C)S(=O)(=O)C1=CN=C(C=C1)SC2CCCCN(C2=O)C(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H22ClN3O4S2/c1-23(2)30(27,28)16-10-11-18(22-13-16)29-17-5-3-4-12-24(20(17)26)19(25)14-6-8-15(21)9-7-14/h6-11,13,17H,3-5,12H2,1-2H3