2-[3-[4-(azepan-1-ylsulfonyl)phenyl]propanoylamino]-N-methyl-benzamide

Systemtic Name: 2-[3-[4-(azepan-1-ylsulfonyl)phenyl]propanoylamino]-N-methyl-benzamide Openeye Name: 2-[3-[4-(azepan-1-ylsulfonyl)phenyl]propanoylamino]-N-methyl-benzamide CAS Name: 2-[[3-[4-(1-azepanylsulfonyl)phenyl]-1-oxopropyl]amino]-N-methylbenzamide IUPAC Name: 2-[3-[4-(azepan-1-ylsulfonyl)phenyl]propanoylamino]-N-methylbenzamide Traditional Name: 2-[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=C1NC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CNC(=O)C1=CC=CC=C1NC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C23H29N3O4S/c1-24-23(28)20-8-4-5-9-21(20)25-22(27)15-12-18-10-13-19(14-11-18)31(29,30)26-16-6-2-3-7-17-26/h4-5,8-11,13-14H,2-3,6-7,12,15-17H2,1H3,(H,24,28)(H,25,27)