methyl 4-methyl-3-[3-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]propanoylamino]benzoate

Systemtic Name: methyl 4-methyl-3-[3-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]propanoylamino]benzoate Openeye Name: methyl 4-methyl-3-[3-[[(E)-2-(p-tolyl)vinyl]sulfonylamino]propanoylamino]benzoate CAS Name: 4-methyl-3-[[3-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]-1-oxopropyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-methyl-3-[3-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]propanoylamino]benzoate Traditional Name: 4-methyl-3-[3-[[(E)-2-(p-tolyl)vinyl]sulfonylamino]propanoylamino]benzoic acid methyl ester Formula: C21H24N2O5S MolecularWeight: 416.49066

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C=CS(=O)(=O)NCCC(=O)NC2=C(C=CC(=C2)C(=O)OC)C

Isomeric SMILES

CC1=CC=C(C=C1)/C=C/S(=O)(=O)NCCC(=O)NC2=C(C=CC(=C2)C(=O)OC)C

InChI

InChI=1S/C21H24N2O5S/c1-15-4-7-17(8-5-15)11-13-29(26,27)22-12-10-20(24)23-19-14-18(21(25)28-3)9-6-16(19)2/h4-9,11,13-14,22H,10,12H2,1-3H3,(H,23,24)/b13-11+