[2-methoxy-4-[(E)-3-[(4-methoxyphenyl)methylamino]-3-oxidanylidene-prop-1-enyl]phenyl] 4-methylbenzenesulfonate

Systemtic Name: [2-methoxy-4-[(E)-3-[(4-methoxyphenyl)methylamino]-3-oxidanylidene-prop-1-enyl]phenyl] 4-methylbenzenesulfonate Openeye Name: [2-methoxy-4-[(E)-3-[(4-methoxyphenyl)methylamino]-3-oxo-prop-1-enyl]phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-methoxy-4-[(E)-3-[(4-methoxyphenyl)methylamino]-3-oxoprop-1-enyl]phenyl] ester IUPAC Name: [2-methoxy-4-[(E)-3-[(4-methoxyphenyl)methylamino]-3-oxoprop-1-enyl]phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-[(E)-3-keto-3-(p-anisylamino)prop-1-enyl]-2-methoxy-phenyl] ester Formula: C25H25NO6S MolecularWeight: 467.5341

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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)NCC3=CC=C(C=C3)OC)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)/C=C/C(=O)NCC3=CC=C(C=C3)OC)OC

InChI

InChI=1S/C25H25NO6S/c1-18-4-12-22(13-5-18)33(28,29)32-23-14-8-19(16-24(23)31-3)9-15-25(27)26-17-20-6-10-21(30-2)11-7-20/h4-16H,17H2,1-3H3,(H,26,27)/b15-9+