N-[2-methyl-4-[3-(4-methylphenyl)propanoylamino]phenyl]-3-methylsulfonyl-benzamide

Systemtic Name: N-[2-methyl-4-[3-(4-methylphenyl)propanoylamino]phenyl]-3-methylsulfonyl-benzamide Openeye Name: N-[2-methyl-4-[3-(p-tolyl)propanoylamino]phenyl]-3-methylsulfonyl-benzamide CAS Name: N-[2-methyl-4-[[3-(4-methylphenyl)-1-oxopropyl]amino]phenyl]-3-methylsulfonylbenzamide IUPAC Name: N-[2-methyl-4-[3-(4-methylphenyl)propanoylamino]phenyl]-3-methylsulfonylbenzamide Traditional Name: 3-mesyl-N-[2-methyl-4-[3-(p-tolyl)propanoylamino]phenyl]benzamide Formula: C25H26N2O4S MolecularWeight: 450.54994

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CCC(=O)NC2=CC(=C(C=C2)NC(=O)C3=CC(=CC=C3)S(=O)(=O)C)C

Isomeric SMILES

CC1=CC=C(C=C1)CCC(=O)NC2=CC(=C(C=C2)NC(=O)C3=CC(=CC=C3)S(=O)(=O)C)C

InChI

InChI=1S/C25H26N2O4S/c1-17-7-9-19(10-8-17)11-14-24(28)26-21-12-13-23(18(2)15-21)27-25(29)20-5-4-6-22(16-20)32(3,30)31/h4-10,12-13,15-16H,11,14H2,1-3H3,(H,26,28)(H,27,29)