3-(azepan-1-ylsulfonyl)-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]benzamide

Systemtic Name: 3-(azepan-1-ylsulfonyl)-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]benzamide CAS Name: 3-(1-azepanylsulfonyl)-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]benzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]benzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-N-methyl-N-[4-(methylcarbamoyl)benzyl]benzamide Formula: C23H29N3O4S MolecularWeight: 443.55906

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N3O4S/c1-24-22(27)19-12-10-18(11-13-19)17-25(2)23(28)20-8-7-9-21(16-20)31(29,30)26-14-5-3-4-6-15-26/h7-13,16H,3-6,14-15,17H2,1-2H3,(H,24,27)