[2-oxidanylidene-2-[(4-phenyldiazenylphenyl)amino]ethyl] 1-methylsulfonylpiperidine-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-[(4-phenyldiazenylphenyl)amino]ethyl] 1-methylsulfonylpiperidine-4-carboxylate Openeye Name: [2-oxo-2-(4-phenylazoanilino)ethyl] 1-methylsulfonylpiperidine-4-carboxylate CAS Name: 1-methylsulfonyl-4-piperidinecarboxylic acid [2-oxo-2-(4-phenyldiazenylanilino)ethyl] ester IUPAC Name: [2-oxo-2-(4-phenyldiazenylanilino)ethyl] 1-methylsulfonylpiperidine-4-carboxylate Traditional Name: 1-mesylisonipecotic acid [2-keto-2-(4-phenylazoanilino)ethyl] ester Formula: C21H24N4O5S MolecularWeight: 444.50406

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCC(CC1)C(=O)OCC(=O)NC2=CC=C(C=C2)N=NC3=CC=CC=C3

Isomeric SMILES

CS(=O)(=O)N1CCC(CC1)C(=O)OCC(=O)NC2=CC=C(C=C2)N=NC3=CC=CC=C3

InChI

InChI=1S/C21H24N4O5S/c1-31(28,29)25-13-11-16(12-14-25)21(27)30-15-20(26)22-17-7-9-19(10-8-17)24-23-18-5-3-2-4-6-18/h2-10,16H,11-15H2,1H3,(H,22,26)