N-(2-cyanoethyl)-3-[2-(4-methoxyphenyl)azepan-1-yl]carbonyl-benzenesulfonamide

Systemtic Name: N-(2-cyanoethyl)-3-[2-(4-methoxyphenyl)azepan-1-yl]carbonyl-benzenesulfonamide Openeye Name: N-(2-cyanoethyl)-3-[2-(4-methoxyphenyl)azepane-1-carbonyl]benzenesulfonamide CAS Name: N-(2-cyanoethyl)-3-[[2-(4-methoxyphenyl)-1-azepanyl]-oxomethyl]benzenesulfonamide IUPAC Name: N-(2-cyanoethyl)-3-[2-(4-methoxyphenyl)azepane-1-carbonyl]benzenesulfonamide Traditional Name: N-(2-cyanoethyl)-3-[2-(4-methoxyphenyl)azepane-1-carbonyl]benzenesulfonamide Formula: C23H27N3O4S MolecularWeight: 441.54318

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CCCCCN2C(=O)C3=CC(=CC=C3)S(=O)(=O)NCCC#N

Isomeric SMILES

COC1=CC=C(C=C1)C2CCCCCN2C(=O)C3=CC(=CC=C3)S(=O)(=O)NCCC#N

InChI

InChI=1S/C23H27N3O4S/c1-30-20-12-10-18(11-13-20)22-9-3-2-4-16-26(22)23(27)19-7-5-8-21(17-19)31(28,29)25-15-6-14-24/h5,7-8,10-13,17,22,25H,2-4,6,9,15-16H2,1H3