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

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

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=CC(=CC=C1)NC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CNC(=O)C1=CC(=CC=C1)NC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C23H29N3O4S/c1-24-23(28)19-7-6-8-20(17-19)25-22(27)14-11-18-9-12-21(13-10-18)31(29,30)26-15-4-2-3-5-16-26/h6-10,12-13,17H,2-5,11,14-16H2,1H3,(H,24,28)(H,25,27)