4-[2-[(E)-4-[(2-chlorophenyl)amino]-4-oxidanylidene-but-2-en-2-yl]hydrazinyl]benzenesulfonate

Systemtic Name: 4-[2-[(E)-4-[(2-chlorophenyl)amino]-4-oxidanylidene-but-2-en-2-yl]hydrazinyl]benzenesulfonate Openeye Name: 4-[2-[(E)-3-(2-chloroanilino)-1-methyl-3-oxo-prop-1-enyl]hydrazino]benzenesulfonate CAS Name: 4-[[(E)-4-(2-chloroanilino)-4-oxobut-2-en-2-yl]hydrazo]benzenesulfonate IUPAC Name: 4-[2-[(E)-4-(2-chloroanilino)-4-oxobut-2-en-2-yl]hydrazinyl]benzenesulfonate Traditional Name: 4-[N'-[(E)-3-(2-chloroanilino)-3-keto-1-methyl-prop-1-enyl]hydrazino]besylate Formula: C16H15ClN3O4S- MolecularWeight: 380.826

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)NC1=CC=CC=C1Cl)NNC2=CC=C(C=C2)S(=O)(=O)[O-]

Isomeric SMILES

C/C(=C\C(=O)NC1=CC=CC=C1Cl)/NNC2=CC=C(C=C2)S(=O)(=O)[O-]

InChI

InChI=1S/C16H16ClN3O4S/c1-11(10-16(21)18-15-5-3-2-4-14(15)17)19-20-12-6-8-13(9-7-12)25(22,23)24/h2-10,19-20H,1H3,(H,18,21)(H,22,23,24)/p-1/b11-10+