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

Systemtic Name: [4-[(E)-2-benzamido-3-(butylamino)-3-oxidanylidene-prop-1-enyl]phenyl] 4-methylbenzenesulfonate Openeye Name: [4-[(E)-2-benzamido-3-(butylamino)-3-oxo-prop-1-enyl]phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-[(E)-2-benzamido-3-(butylamino)-3-oxoprop-1-enyl]phenyl] ester IUPAC Name: [4-[(E)-2-benzamido-3-(butylamino)-3-oxoprop-1-enyl]phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-[(E)-2-benzamido-3-(butylamino)-3-keto-prop-1-enyl]phenyl] ester Formula: C27H28N2O5S MolecularWeight: 492.58662

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C(=CC1=CC=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)C)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CCCCNC(=O)/C(=C\C1=CC=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)C)/NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C27H28N2O5S/c1-3-4-18-28-27(31)25(29-26(30)22-8-6-5-7-9-22)19-21-12-14-23(15-13-21)34-35(32,33)24-16-10-20(2)11-17-24/h5-17,19H,3-4,18H2,1-2H3,(H,28,31)(H,29,30)/b25-19+