[4-[(Z)-2-benzamido-3-morpholin-4-yl-3-oxidanylidene-prop-1-enyl]phenyl] 4-methylbenzenesulfonate

Systemtic Name: [4-[(Z)-2-benzamido-3-morpholin-4-yl-3-oxidanylidene-prop-1-enyl]phenyl] 4-methylbenzenesulfonate Openeye Name: [4-[(Z)-2-benzamido-3-morpholino-3-oxo-prop-1-enyl]phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-[(Z)-2-benzamido-3-(4-morpholinyl)-3-oxoprop-1-enyl]phenyl] ester IUPAC Name: [4-[(Z)-2-benzamido-3-morpholin-4-yl-3-oxoprop-1-enyl]phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-[(Z)-2-benzamido-3-keto-3-morpholino-prop-1-enyl]phenyl] ester Formula: C27H26N2O6S MolecularWeight: 506.57014

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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)N3CCOCC3)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)N3CCOCC3)\NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C27H26N2O6S/c1-20-7-13-24(14-8-20)36(32,33)35-23-11-9-21(10-12-23)19-25(27(31)29-15-17-34-18-16-29)28-26(30)22-5-3-2-4-6-22/h2-14,19H,15-18H2,1H3,(H,28,30)/b25-19-