N-[2-chloranyl-4-[3-(2,4-dimethylphenyl)propanoylamino]phenyl]-3-methylsulfonyl-benzamide

Systemtic Name: N-[2-chloranyl-4-[3-(2,4-dimethylphenyl)propanoylamino]phenyl]-3-methylsulfonyl-benzamide Openeye Name: N-[2-chloro-4-[3-(2,4-dimethylphenyl)propanoylamino]phenyl]-3-methylsulfonyl-benzamide CAS Name: N-[2-chloro-4-[[3-(2,4-dimethylphenyl)-1-oxopropyl]amino]phenyl]-3-methylsulfonylbenzamide IUPAC Name: N-[2-chloro-4-[3-(2,4-dimethylphenyl)propanoylamino]phenyl]-3-methylsulfonylbenzamide Traditional Name: N-[2-chloro-4-[3-(2,4-dimethylphenyl)propanoylamino]phenyl]-3-mesyl-benzamide Formula: C25H25ClN2O4S MolecularWeight: 484.995

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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)Cl)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)Cl)C

InChI

InChI=1S/C25H25ClN2O4S/c1-16-7-8-18(17(2)13-16)9-12-24(29)27-20-10-11-23(22(26)15-20)28-25(30)19-5-4-6-21(14-19)33(3,31)32/h4-8,10-11,13-15H,9,12H2,1-3H3,(H,27,29)(H,28,30)