N-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-4-methyl-N-(4-phenoxyphenyl)benzenesulfonamide

Systemtic Name: N-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-4-methyl-N-(4-phenoxyphenyl)benzenesulfonamide Openeye Name: N-[2-(azepan-1-yl)-2-oxo-ethyl]-4-methyl-N-(4-phenoxyphenyl)benzenesulfonamide CAS Name: N-[2-(1-azepanyl)-2-oxoethyl]-4-methyl-N-(4-phenoxyphenyl)benzenesulfonamide IUPAC Name: N-[2-(azepan-1-yl)-2-oxoethyl]-4-methyl-N-(4-phenoxyphenyl)benzenesulfonamide Traditional Name: N-[2-(azepan-1-yl)-2-keto-ethyl]-4-methyl-N-(4-phenoxyphenyl)benzenesulfonamide Formula: C27H30N2O4S MolecularWeight: 478.6031

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)N2CCCCCC2)C3=CC=C(C=C3)OC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)N2CCCCCC2)C3=CC=C(C=C3)OC4=CC=CC=C4

InChI

InChI=1S/C27H30N2O4S/c1-22-11-17-26(18-12-22)34(31,32)29(21-27(30)28-19-7-2-3-8-20-28)23-13-15-25(16-14-23)33-24-9-5-4-6-10-24/h4-6,9-18H,2-3,7-8,19-21H2,1H3