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

Systemtic Name: 4-(azepan-1-ylsulfonyl)-N-[2-(dimethylamino)-2-thiophen-2-yl-ethyl]benzamide Openeye Name: 4-(azepan-1-ylsulfonyl)-N-[2-(dimethylamino)-2-(2-thienyl)ethyl]benzamide CAS Name: 4-(1-azepanylsulfonyl)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]benzamide IUPAC Name: 4-(azepan-1-ylsulfonyl)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]benzamide Traditional Name: 4-(azepan-1-ylsulfonyl)-N-[2-(dimethylamino)-2-(2-thienyl)ethyl]benzamide Formula: C21H29N3O3S2 MolecularWeight: 435.60326

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N3O3S2/c1-23(2)19(20-8-7-15-28-20)16-22-21(25)17-9-11-18(12-10-17)29(26,27)24-13-5-3-4-6-14-24/h7-12,15,19H,3-6,13-14,16H2,1-2H3,(H,22,25)