3-(azepan-1-ylsulfonyl)-N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-4-methoxy-benzamide

Systemtic Name: 3-(azepan-1-ylsulfonyl)-N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-4-methoxy-benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-4-methoxy-benzamide CAS Name: 3-(1-azepanylsulfonyl)-N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-4-methoxybenzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-4-methoxybenzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-4-methoxy-benzamide Formula: C23H28F3N3O4S MolecularWeight: 499.54633

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC(=C(C=C1)NC(=O)C2=CC(=C(C=C2)OC)S(=O)(=O)N3CCCCCC3)C(F)(F)F

Isomeric SMILES

CN(C)C1=CC(=C(C=C1)NC(=O)C2=CC(=C(C=C2)OC)S(=O)(=O)N3CCCCCC3)C(F)(F)F

InChI

InChI=1S/C23H28F3N3O4S/c1-28(2)17-9-10-19(18(15-17)23(24,25)26)27-22(30)16-8-11-20(33-3)21(14-16)34(31,32)29-12-6-4-5-7-13-29/h8-11,14-15H,4-7,12-13H2,1-3H3,(H,27,30)