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

Systemtic Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[2-(dimethylamino)-2-thiophen-2-yl-ethyl]propanamide Openeye Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[2-(dimethylamino)-2-(2-thienyl)ethyl]propanamide CAS Name: 3-[4-(1-azepanylsulfonyl)phenyl]-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]propanamide IUPAC Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]propanamide Traditional Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[2-(dimethylamino)-2-(2-thienyl)ethyl]propionamide Formula: C23H33N3O3S2 MolecularWeight: 463.65642

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(CNC(=O)CCC1=CC=C(C=C1)S(=O)(=O)N2CCCCCC2)C3=CC=CS3

Isomeric SMILES

CN(C)C(CNC(=O)CCC1=CC=C(C=C1)S(=O)(=O)N2CCCCCC2)C3=CC=CS3

InChI

InChI=1S/C23H33N3O3S2/c1-25(2)21(22-8-7-17-30-22)18-24-23(27)14-11-19-9-12-20(13-10-19)31(28,29)26-15-5-3-4-6-16-26/h7-10,12-13,17,21H,3-6,11,14-16,18H2,1-2H3,(H,24,27)