4-[(E)-3-(azepan-1-yl)-3-oxidanylidene-prop-1-enyl]-N-(2-methoxyphenyl)benzenesulfonamide

Systemtic Name: 4-[(E)-3-(azepan-1-yl)-3-oxidanylidene-prop-1-enyl]-N-(2-methoxyphenyl)benzenesulfonamide Openeye Name: 4-[(E)-3-(azepan-1-yl)-3-oxo-prop-1-enyl]-N-(2-methoxyphenyl)benzenesulfonamide CAS Name: 4-[(E)-3-(1-azepanyl)-3-oxoprop-1-enyl]-N-(2-methoxyphenyl)benzenesulfonamide IUPAC Name: 4-[(E)-3-(azepan-1-yl)-3-oxoprop-1-enyl]-N-(2-methoxyphenyl)benzenesulfonamide Traditional Name: 4-[(E)-3-(azepan-1-yl)-3-keto-prop-1-enyl]-N-(2-methoxyphenyl)benzenesulfonamide Formula: C22H26N2O4S MolecularWeight: 414.51784

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NS(=O)(=O)C2=CC=C(C=C2)C=CC(=O)N3CCCCCC3

Isomeric SMILES

COC1=CC=CC=C1NS(=O)(=O)C2=CC=C(C=C2)/C=C/C(=O)N3CCCCCC3

InChI

InChI=1S/C22H26N2O4S/c1-28-21-9-5-4-8-20(21)23-29(26,27)19-13-10-18(11-14-19)12-15-22(25)24-16-6-2-3-7-17-24/h4-5,8-15,23H,2-3,6-7,16-17H2,1H3/b15-12+