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

Systemtic Name: 4-[3-[4-(azepan-1-ylsulfonyl)phenyl]propanoylamino]-N,3-dimethyl-benzamide Openeye Name: 4-[3-[4-(azepan-1-ylsulfonyl)phenyl]propanoylamino]-N,3-dimethyl-benzamide CAS Name: 4-[[3-[4-(1-azepanylsulfonyl)phenyl]-1-oxopropyl]amino]-N,3-dimethylbenzamide IUPAC Name: 4-[3-[4-(azepan-1-ylsulfonyl)phenyl]propanoylamino]-N,3-dimethylbenzamide Traditional Name: 4-[3-[4-(azepan-1-ylsulfonyl)phenyl]propanoylamino]-N,3-dimethyl-benzamide Formula: C24H31N3O4S MolecularWeight: 457.58564

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)NC)NC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)NC)NC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C24H31N3O4S/c1-18-17-20(24(29)25-2)10-13-22(18)26-23(28)14-9-19-7-11-21(12-8-19)32(30,31)27-15-5-3-4-6-16-27/h7-8,10-13,17H,3-6,9,14-16H2,1-2H3,(H,25,29)(H,26,28)