N-[4-[[(2E,4E)-hexa-2,4-dienoyl]amino]-2-methyl-phenyl]-3-methylsulfonyl-benzamide

Systemtic Name: N-[4-[[(2E,4E)-hexa-2,4-dienoyl]amino]-2-methyl-phenyl]-3-methylsulfonyl-benzamide Openeye Name: N-[4-[[(2E,4E)-hexa-2,4-dienoyl]amino]-2-methyl-phenyl]-3-methylsulfonyl-benzamide CAS Name: N-[2-methyl-4-[[(2E,4E)-1-oxohexa-2,4-dienyl]amino]phenyl]-3-methylsulfonylbenzamide IUPAC Name: N-[4-[[(2E,4E)-hexa-2,4-dienoyl]amino]-2-methylphenyl]-3-methylsulfonylbenzamide Traditional Name: N-[4-[[(2E,4E)-hexa-2,4-dienoyl]amino]-2-methyl-phenyl]-3-mesyl-benzamide Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

CC=CC=CC(=O)NC1=CC(=C(C=C1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)C)C

Isomeric SMILES

C/C=C/C=C/C(=O)NC1=CC(=C(C=C1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)C)C

InChI

InChI=1S/C21H22N2O4S/c1-4-5-6-10-20(24)22-17-11-12-19(15(2)13-17)23-21(25)16-8-7-9-18(14-16)28(3,26)27/h4-14H,1-3H3,(H,22,24)(H,23,25)/b5-4+,10-6+