[2-[(2-methylphenyl)amino]-2-oxidanylidene-ethyl] 4-methoxy-3-[(2S)-2-methylpiperidin-1-yl]sulfonyl-benzoate

Systemtic Name: [2-[(2-methylphenyl)amino]-2-oxidanylidene-ethyl] 4-methoxy-3-[(2S)-2-methylpiperidin-1-yl]sulfonyl-benzoate Openeye Name: [2-(2-methylanilino)-2-oxo-ethyl] 4-methoxy-3-[[(2S)-2-methyl-1-piperidyl]sulfonyl]benzoate CAS Name: 4-methoxy-3-[[(2S)-2-methyl-1-piperidinyl]sulfonyl]benzoic acid [2-(2-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methylanilino)-2-oxoethyl] 4-methoxy-3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoate Traditional Name: 4-methoxy-3-[(2S)-2-methylpiperidino]sulfonyl-benzoic acid [2-keto-2-(o-toluidino)ethyl] ester Formula: C23H28N2O6S MolecularWeight: 460.54322

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC(=O)NC3=CC=CC=C3C)OC

Isomeric SMILES

C[C@H]1CCCCN1S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC(=O)NC3=CC=CC=C3C)OC

InChI

InChI=1S/C23H28N2O6S/c1-16-8-4-5-10-19(16)24-22(26)15-31-23(27)18-11-12-20(30-3)21(14-18)32(28,29)25-13-7-6-9-17(25)2/h4-5,8,10-12,14,17H,6-7,9,13,15H2,1-3H3,(H,24,26)/t17-/m0/s1