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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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