[2-oxidanylidene-2-[(4-phenyldiazenylphenyl)amino]ethyl] 4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoate

Systemtic Name: [2-oxidanylidene-2-[(4-phenyldiazenylphenyl)amino]ethyl] 4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoate Openeye Name: [2-oxo-2-(4-phenylazoanilino)ethyl] 4-[(3,5-dimethyl-1-piperidyl)sulfonyl]benzoate CAS Name: 4-[(3,5-dimethyl-1-piperidinyl)sulfonyl]benzoic acid [2-oxo-2-(4-phenyldiazenylanilino)ethyl] ester IUPAC Name: [2-oxo-2-(4-phenyldiazenylanilino)ethyl] 4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoate Traditional Name: 4-(3,5-dimethylpiperidino)sulfonylbenzoic acid [2-keto-2-(4-phenylazoanilino)ethyl] ester Formula: C28H30N4O5S MolecularWeight: 534.6266

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC(=O)NC3=CC=C(C=C3)N=NC4=CC=CC=C4)C

Isomeric SMILES

CC1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC(=O)NC3=CC=C(C=C3)N=NC4=CC=CC=C4)C

InChI

InChI=1S/C28H30N4O5S/c1-20-16-21(2)18-32(17-20)38(35,36)26-14-8-22(9-15-26)28(34)37-19-27(33)29-23-10-12-25(13-11-23)31-30-24-6-4-3-5-7-24/h3-15,20-21H,16-19H2,1-2H3,(H,29,33)