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

Systemtic Name: [4-[(Z)-2-benzamido-3-oxidanylidene-3-piperidin-1-yl-prop-1-enyl]phenyl] 4-methylbenzenesulfonate Openeye Name: [4-[(Z)-2-benzamido-3-oxo-3-(1-piperidyl)prop-1-enyl]phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-[(Z)-2-benzamido-3-oxo-3-(1-piperidinyl)prop-1-enyl]phenyl] ester IUPAC Name: [4-[(Z)-2-benzamido-3-oxo-3-piperidin-1-ylprop-1-enyl]phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-[(Z)-2-benzamido-3-keto-3-piperidino-prop-1-enyl]phenyl] ester Formula: C28H28N2O5S MolecularWeight: 504.59732

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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)N3CCCCC3)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)N3CCCCC3)\NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C28H28N2O5S/c1-21-10-16-25(17-11-21)36(33,34)35-24-14-12-22(13-15-24)20-26(28(32)30-18-6-3-7-19-30)29-27(31)23-8-4-2-5-9-23/h2,4-5,8-17,20H,3,6-7,18-19H2,1H3,(H,29,31)/b26-20-