3-(azepan-1-ylsulfonyl)-N-[2-(dimethylamino)-2-thiophen-2-yl-ethyl]-4-methoxy-benzamide

Systemtic Name: 3-(azepan-1-ylsulfonyl)-N-[2-(dimethylamino)-2-thiophen-2-yl-ethyl]-4-methoxy-benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-N-[2-(dimethylamino)-2-(2-thienyl)ethyl]-4-methoxy-benzamide CAS Name: 3-(1-azepanylsulfonyl)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-methoxybenzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-methoxybenzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-N-[2-(dimethylamino)-2-(2-thienyl)ethyl]-4-methoxy-benzamide Formula: C22H31N3O4S2 MolecularWeight: 465.62924

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(CNC(=O)C1=CC(=C(C=C1)OC)S(=O)(=O)N2CCCCCC2)C3=CC=CS3

Isomeric SMILES

CN(C)C(CNC(=O)C1=CC(=C(C=C1)OC)S(=O)(=O)N2CCCCCC2)C3=CC=CS3

InChI

InChI=1S/C22H31N3O4S2/c1-24(2)18(20-9-8-14-30-20)16-23-22(26)17-10-11-19(29-3)21(15-17)31(27,28)25-12-6-4-5-7-13-25/h8-11,14-15,18H,4-7,12-13,16H2,1-3H3,(H,23,26)