N-[4-[[(E)-3-(2-cyanophenyl)prop-2-enoyl]amino]-2-methyl-phenyl]-3-methylsulfonyl-benzamide

Systemtic Name: N-[4-[[(E)-3-(2-cyanophenyl)prop-2-enoyl]amino]-2-methyl-phenyl]-3-methylsulfonyl-benzamide Openeye Name: N-[4-[[(E)-3-(2-cyanophenyl)prop-2-enoyl]amino]-2-methyl-phenyl]-3-methylsulfonyl-benzamide CAS Name: N-[4-[[(E)-3-(2-cyanophenyl)-1-oxoprop-2-enyl]amino]-2-methylphenyl]-3-methylsulfonylbenzamide IUPAC Name: N-[4-[[(E)-3-(2-cyanophenyl)prop-2-enoyl]amino]-2-methylphenyl]-3-methylsulfonylbenzamide Traditional Name: N-[4-[[(E)-3-(2-cyanophenyl)acryloyl]amino]-2-methyl-phenyl]-3-mesyl-benzamide Formula: C25H21N3O4S MolecularWeight: 459.51694

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)C=CC2=CC=CC=C2C#N)NC(=O)C3=CC(=CC=C3)S(=O)(=O)C

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)/C=C/C2=CC=CC=C2C#N)NC(=O)C3=CC(=CC=C3)S(=O)(=O)C

InChI

InChI=1S/C25H21N3O4S/c1-17-14-21(27-24(29)13-10-18-6-3-4-7-20(18)16-26)11-12-23(17)28-25(30)19-8-5-9-22(15-19)33(2,31)32/h3-15H,1-2H3,(H,27,29)(H,28,30)/b13-10+