[3-[(E)-2-cyano-3-(naphthalen-1-ylamino)-3-oxidanylidene-prop-1-enyl]phenyl] 4-methylbenzenesulfonate

Systemtic Name: [3-[(E)-2-cyano-3-(naphthalen-1-ylamino)-3-oxidanylidene-prop-1-enyl]phenyl] 4-methylbenzenesulfonate Openeye Name: [3-[(E)-2-cyano-3-(1-naphthylamino)-3-oxo-prop-1-enyl]phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [3-[(E)-2-cyano-3-(1-naphthalenylamino)-3-oxoprop-1-enyl]phenyl] ester IUPAC Name: [3-[(E)-2-cyano-3-(naphthalen-1-ylamino)-3-oxoprop-1-enyl]phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [3-[(E)-2-cyano-3-keto-3-(1-naphthylamino)prop-1-enyl]phenyl] ester Formula: C27H20N2O4S MolecularWeight: 468.5237

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC(=C2)C=C(C#N)C(=O)NC3=CC=CC4=CC=CC=C43

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC(=C2)/C=C(\C#N)/C(=O)NC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C27H20N2O4S/c1-19-12-14-24(15-13-19)34(31,32)33-23-9-4-6-20(17-23)16-22(18-28)27(30)29-26-11-5-8-21-7-2-3-10-25(21)26/h2-17H,1H3,(H,29,30)/b22-16+