[4-[(E)-2-benzamido-3-oxidanylidene-3-phenylazanyl-prop-1-enyl]phenyl] 4-methylbenzenesulfonate

Systemtic Name: [4-[(E)-2-benzamido-3-oxidanylidene-3-phenylazanyl-prop-1-enyl]phenyl] 4-methylbenzenesulfonate Openeye Name: [4-[(E)-3-anilino-2-benzamido-3-oxo-prop-1-enyl]phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-[(E)-3-anilino-2-benzamido-3-oxoprop-1-enyl]phenyl] ester IUPAC Name: [4-[(E)-3-anilino-2-benzamido-3-oxoprop-1-enyl]phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-[(E)-3-anilino-2-benzamido-3-keto-prop-1-enyl]phenyl] ester Formula: C29H24N2O5S MolecularWeight: 512.57626

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)C=C(C(=O)NC3=CC=CC=C3)NC(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)/C=C(\C(=O)NC3=CC=CC=C3)/NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C29H24N2O5S/c1-21-12-18-26(19-13-21)37(34,35)36-25-16-14-22(15-17-25)20-27(29(33)30-24-10-6-3-7-11-24)31-28(32)23-8-4-2-5-9-23/h2-20H,1H3,(H,30,33)(H,31,32)/b27-20+