[2-methoxy-4-[(E)-3-[(1-methylpyrazol-3-yl)amino]-3-oxidanylidene-prop-1-enyl]phenyl] 4-methylbenzenesulfonate

Systemtic Name: [2-methoxy-4-[(E)-3-[(1-methylpyrazol-3-yl)amino]-3-oxidanylidene-prop-1-enyl]phenyl] 4-methylbenzenesulfonate Openeye Name: [2-methoxy-4-[(E)-3-[(1-methylpyrazol-3-yl)amino]-3-oxo-prop-1-enyl]phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-methoxy-4-[(E)-3-[(1-methyl-3-pyrazolyl)amino]-3-oxoprop-1-enyl]phenyl] ester IUPAC Name: [2-methoxy-4-[(E)-3-[(1-methylpyrazol-3-yl)amino]-3-oxoprop-1-enyl]phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-[(E)-3-keto-3-[(1-methylpyrazol-3-yl)amino]prop-1-enyl]-2-methoxy-phenyl] ester Formula: C21H21N3O5S MolecularWeight: 427.47354

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)C=CC(=O)NC3=NN(C=C3)C)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)/C=C/C(=O)NC3=NN(C=C3)C)OC

InChI

InChI=1S/C21H21N3O5S/c1-15-4-8-17(9-5-15)30(26,27)29-18-10-6-16(14-19(18)28-3)7-11-21(25)22-20-12-13-24(2)23-20/h4-14H,1-3H3,(H,22,23,25)/b11-7+