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

Systemtic Name: [2-[[4-chloranyl-2-(phenylcarbonyl)phenyl]amino]-2-oxidanylidene-ethyl] 4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoate Openeye Name: [2-(2-benzoyl-4-chloro-anilino)-2-oxo-ethyl] 4-[(3,5-dimethyl-1-piperidyl)sulfonyl]benzoate CAS Name: 4-[(3,5-dimethyl-1-piperidinyl)sulfonyl]benzoic acid [2-(2-benzoyl-4-chloroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-benzoyl-4-chloroanilino)-2-oxoethyl] 4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoate Traditional Name: 4-(3,5-dimethylpiperidino)sulfonylbenzoic acid [2-(2-benzoyl-4-chloro-anilino)-2-keto-ethyl] ester Formula: C29H29ClN2O6S MolecularWeight: 569.06836

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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=C(C=C(C=C3)Cl)C(=O)C4=CC=CC=C4)C

Isomeric SMILES

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

InChI

InChI=1S/C29H29ClN2O6S/c1-19-14-20(2)17-32(16-19)39(36,37)24-11-8-22(9-12-24)29(35)38-18-27(33)31-26-13-10-23(30)15-25(26)28(34)21-6-4-3-5-7-21/h3-13,15,19-20H,14,16-18H2,1-2H3,(H,31,33)