N-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-3,4-dimethoxy-N-phenyl-benzenesulfonamide

Systemtic Name: N-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-3,4-dimethoxy-N-phenyl-benzenesulfonamide Openeye Name: N-[2-(azepan-1-yl)-2-oxo-ethyl]-3,4-dimethoxy-N-phenyl-benzenesulfonamide CAS Name: N-[2-(1-azepanyl)-2-oxoethyl]-3,4-dimethoxy-N-phenylbenzenesulfonamide IUPAC Name: N-[2-(azepan-1-yl)-2-oxoethyl]-3,4-dimethoxy-N-phenylbenzenesulfonamide Traditional Name: N-[2-(azepan-1-yl)-2-keto-ethyl]-3,4-dimethoxy-N-phenyl-benzenesulfonamide Formula: C22H28N2O5S MolecularWeight: 432.53312

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O5S/c1-28-20-13-12-19(16-21(20)29-2)30(26,27)24(18-10-6-5-7-11-18)17-22(25)23-14-8-3-4-9-15-23/h5-7,10-13,16H,3-4,8-9,14-15,17H2,1-2H3