4-(azepan-1-ylsulfonyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]benzenesulfonamide

Systemtic Name: 4-(azepan-1-ylsulfonyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]benzenesulfonamide Openeye Name: 4-(azepan-1-ylsulfonyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]benzenesulfonamide CAS Name: 4-(1-azepanylsulfonyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]benzenesulfonamide IUPAC Name: 4-(azepan-1-ylsulfonyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]benzenesulfonamide Traditional Name: 4-(azepan-1-ylsulfonyl)-N-homoveratryl-benzenesulfonamide Formula: C22H30N2O6S2 MolecularWeight: 482.6134

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNS(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNS(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)OC

InChI

InChI=1S/C22H30N2O6S2/c1-29-21-12-7-18(17-22(21)30-2)13-14-23-31(25,26)19-8-10-20(11-9-19)32(27,28)24-15-5-3-4-6-16-24/h7-12,17,23H,3-6,13-16H2,1-2H3