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

Systemtic Name: N-(cyclopropylmethyl)-3-[2-(4-methoxyphenyl)azepan-1-yl]carbonyl-benzenesulfonamide Openeye Name: N-(cyclopropylmethyl)-3-[2-(4-methoxyphenyl)azepane-1-carbonyl]benzenesulfonamide CAS Name: N-(cyclopropylmethyl)-3-[[2-(4-methoxyphenyl)-1-azepanyl]-oxomethyl]benzenesulfonamide IUPAC Name: N-(cyclopropylmethyl)-3-[2-(4-methoxyphenyl)azepane-1-carbonyl]benzenesulfonamide Traditional Name: N-(cyclopropylmethyl)-3-[2-(4-methoxyphenyl)azepane-1-carbonyl]benzenesulfonamide Formula: C24H30N2O4S MolecularWeight: 442.571

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CCCCCN2C(=O)C3=CC(=CC=C3)S(=O)(=O)NCC4CC4

Isomeric SMILES

COC1=CC=C(C=C1)C2CCCCCN2C(=O)C3=CC(=CC=C3)S(=O)(=O)NCC4CC4

InChI

InChI=1S/C24H30N2O4S/c1-30-21-13-11-19(12-14-21)23-8-3-2-4-15-26(23)24(27)20-6-5-7-22(16-20)31(28,29)25-17-18-9-10-18/h5-7,11-14,16,18,23,25H,2-4,8-10,15,17H2,1H3