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

Systemtic Name: 3-(azepan-1-ylsulfonyl)-N-[[2-(dimethylamino)pyridin-3-yl]methyl]-4-methoxy-benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-N-[[2-(dimethylamino)-3-pyridyl]methyl]-4-methoxy-benzamide CAS Name: 3-(1-azepanylsulfonyl)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-4-methoxybenzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-N-[[2-(dimethylamino)pyridin-3-yl]methyl]-4-methoxybenzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-N-[[2-(dimethylamino)-3-pyridyl]methyl]-4-methoxy-benzamide Formula: C22H30N4O4S MolecularWeight: 446.563

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C=CC=N1)CNC(=O)C2=CC(=C(C=C2)OC)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CN(C)C1=C(C=CC=N1)CNC(=O)C2=CC(=C(C=C2)OC)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C22H30N4O4S/c1-25(2)21-18(9-8-12-23-21)16-24-22(27)17-10-11-19(30-3)20(15-17)31(28,29)26-13-6-4-5-7-14-26/h8-12,15H,4-7,13-14,16H2,1-3H3,(H,24,27)