[(Z)-[1-(5-acetamido-3-methyl-pyrazol-1-yl)-3-phenyl-propylidene]amino] 4-methylbenzenesulfonate

Systemtic Name: [(Z)-[1-(5-acetamido-3-methyl-pyrazol-1-yl)-3-phenyl-propylidene]amino] 4-methylbenzenesulfonate Openeye Name: [(Z)-[1-(5-acetamido-3-methyl-pyrazol-1-yl)-3-phenyl-propylidene]amino] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(Z)-[1-(5-acetamido-3-methyl-1-pyrazolyl)-3-phenylpropylidene]amino] ester IUPAC Name: [(Z)-[1-(5-acetamido-3-methylpyrazol-1-yl)-3-phenylpropylidene]amino] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(Z)-[1-(5-acetamido-3-methyl-pyrazol-1-yl)-3-phenyl-propylidene]amino] ester Formula: C22H24N4O4S MolecularWeight: 440.51536

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)ON=C(CCC2=CC=CC=C2)N3C(=CC(=N3)C)NC(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O/N=C(/CCC2=CC=CC=C2)\N3C(=CC(=N3)C)NC(=O)C

InChI

InChI=1S/C22H24N4O4S/c1-16-9-12-20(13-10-16)31(28,29)30-25-21(14-11-19-7-5-4-6-8-19)26-22(23-18(3)27)15-17(2)24-26/h4-10,12-13,15H,11,14H2,1-3H3,(H,23,27)/b25-21-