3-(azepan-1-ylsulfonyl)-N-[2-(diethylamino)-2-thiophen-3-yl-ethyl]benzamide

Systemtic Name: 3-(azepan-1-ylsulfonyl)-N-[2-(diethylamino)-2-thiophen-3-yl-ethyl]benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-N-[2-(diethylamino)-2-(3-thienyl)ethyl]benzamide CAS Name: 3-(1-azepanylsulfonyl)-N-[2-(diethylamino)-2-(3-thiophenyl)ethyl]benzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-N-[2-(diethylamino)-2-thiophen-3-ylethyl]benzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-N-[2-(diethylamino)-2-(3-thienyl)ethyl]benzamide Formula: C23H33N3O3S2 MolecularWeight: 463.65642

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(CNC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCCCCC2)C3=CSC=C3

Isomeric SMILES

CCN(CC)C(CNC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCCCCC2)C3=CSC=C3

InChI

InChI=1S/C23H33N3O3S2/c1-3-25(4-2)22(20-12-15-30-18-20)17-24-23(27)19-10-9-11-21(16-19)31(28,29)26-13-7-5-6-8-14-26/h9-12,15-16,18,22H,3-8,13-14,17H2,1-2H3,(H,24,27)