[2-[(4-hydroxyphenyl)amino]-2-oxidanylidene-ethyl] 4-chloranyl-3-(3-methylpiperidin-1-yl)sulfonyl-benzoate

Systemtic Name: [2-[(4-hydroxyphenyl)amino]-2-oxidanylidene-ethyl] 4-chloranyl-3-(3-methylpiperidin-1-yl)sulfonyl-benzoate Openeye Name: [2-(4-hydroxyanilino)-2-oxo-ethyl] 4-chloro-3-[(3-methyl-1-piperidyl)sulfonyl]benzoate CAS Name: 4-chloro-3-[(3-methyl-1-piperidinyl)sulfonyl]benzoic acid [2-(4-hydroxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-hydroxyanilino)-2-oxoethyl] 4-chloro-3-(3-methylpiperidin-1-yl)sulfonylbenzoate Traditional Name: 4-chloro-3-(3-methylpiperidino)sulfonyl-benzoic acid [2-(4-hydroxyanilino)-2-keto-ethyl] ester Formula: C21H23ClN2O6S MolecularWeight: 466.93512

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC(=O)NC3=CC=C(C=C3)O)Cl

Isomeric SMILES

CC1CCCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC(=O)NC3=CC=C(C=C3)O)Cl

InChI

InChI=1S/C21H23ClN2O6S/c1-14-3-2-10-24(12-14)31(28,29)19-11-15(4-9-18(19)22)21(27)30-13-20(26)23-16-5-7-17(25)8-6-16/h4-9,11,14,25H,2-3,10,12-13H2,1H3,(H,23,26)