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

Systemtic Name: [2-oxidanylidene-2-[(2-propan-2-ylphenyl)amino]ethyl] 4-chloranyl-3-[(3S)-3-methylpiperidin-1-yl]sulfonyl-benzoate Openeye Name: [2-(2-isopropylanilino)-2-oxo-ethyl] 4-chloro-3-[[(3S)-3-methyl-1-piperidyl]sulfonyl]benzoate CAS Name: 4-chloro-3-[[(3S)-3-methyl-1-piperidinyl]sulfonyl]benzoic acid [2-oxo-2-(2-propan-2-ylanilino)ethyl] ester IUPAC Name: [2-oxo-2-(2-propan-2-ylanilino)ethyl] 4-chloro-3-[(3S)-3-methylpiperidin-1-yl]sulfonylbenzoate Traditional Name: 4-chloro-3-[(3S)-3-methylpiperidino]sulfonyl-benzoic acid [2-(2-isopropylanilino)-2-keto-ethyl] ester Formula: C24H29ClN2O5S MolecularWeight: 493.01546

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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=CC=C3C(C)C)Cl

Isomeric SMILES

C[C@H]1CCCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC(=O)NC3=CC=CC=C3C(C)C)Cl

InChI

InChI=1S/C24H29ClN2O5S/c1-16(2)19-8-4-5-9-21(19)26-23(28)15-32-24(29)18-10-11-20(25)22(13-18)33(30,31)27-12-6-7-17(3)14-27/h4-5,8-11,13,16-17H,6-7,12,14-15H2,1-3H3,(H,26,28)/t17-/m0/s1