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

Systemtic Name: 4-(azepan-1-ylsulfonyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide Openeye Name: 4-(azepan-1-ylsulfonyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(2-thienylmethyl)benzenesulfonamide CAS Name: 4-(1-azepanylsulfonyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide IUPAC Name: 4-(azepan-1-ylsulfonyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide Traditional Name: 4-(azepan-1-ylsulfonyl)-N-homoveratryl-N-(2-thenyl)benzenesulfonamide Formula: C27H34N2O6S3 MolecularWeight: 578.76366

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCN(CC2=CC=CS2)S(=O)(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCN(CC2=CC=CS2)S(=O)(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4)OC

InChI

InChI=1S/C27H34N2O6S3/c1-34-26-14-9-22(20-27(26)35-2)15-18-29(21-23-8-7-19-36-23)38(32,33)25-12-10-24(11-13-25)37(30,31)28-16-5-3-4-6-17-28/h7-14,19-20H,3-6,15-18,21H2,1-2H3