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

Systemtic Name: [(E)-2-benzamido-3-(methylamino)-3-oxidanylidene-prop-1-enyl] 4-methylbenzenesulfonate Openeye Name: [(E)-2-benzamido-3-(methylamino)-3-oxo-prop-1-enyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(E)-2-benzamido-3-(methylamino)-3-oxoprop-1-enyl] ester IUPAC Name: [(E)-2-benzamido-3-(methylamino)-3-oxoprop-1-enyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(E)-2-benzamido-3-keto-3-(methylamino)prop-1-enyl] ester Formula: C18H18N2O5S MolecularWeight: 374.41092

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC=C(C(=O)NC)NC(=O)C2=CC=CC=C2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O/C=C(\C(=O)NC)/NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C18H18N2O5S/c1-13-8-10-15(11-9-13)26(23,24)25-12-16(18(22)19-2)20-17(21)14-6-4-3-5-7-14/h3-12H,1-2H3,(H,19,22)(H,20,21)/b16-12+