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

Systemtic Name: N-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-N-(4-methoxyphenyl)benzenesulfonamide Openeye Name: N-[2-(azepan-1-yl)-2-oxo-ethyl]-N-(4-methoxyphenyl)benzenesulfonamide CAS Name: N-[2-(1-azepanyl)-2-oxoethyl]-N-(4-methoxyphenyl)benzenesulfonamide IUPAC Name: N-[2-(azepan-1-yl)-2-oxoethyl]-N-(4-methoxyphenyl)benzenesulfonamide Traditional Name: N-[2-(azepan-1-yl)-2-keto-ethyl]-N-(4-methoxyphenyl)benzenesulfonamide Formula: C21H26N2O4S MolecularWeight: 402.50714

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N(CC(=O)N2CCCCCC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)N(CC(=O)N2CCCCCC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H26N2O4S/c1-27-19-13-11-18(12-14-19)23(28(25,26)20-9-5-4-6-10-20)17-21(24)22-15-7-2-3-8-16-22/h4-6,9-14H,2-3,7-8,15-17H2,1H3