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

Systemtic Name: [2-(2-methylpiperidin-1-yl)-2-oxidanylidene-ethyl] 4-[methyl-(4-methylphenyl)sulfonyl-amino]benzoate Openeye Name: [2-(2-methyl-1-piperidyl)-2-oxo-ethyl] 4-[methyl(p-tolylsulfonyl)amino]benzoate CAS Name: 4-[methyl-(4-methylphenyl)sulfonylamino]benzoic acid [2-(2-methyl-1-piperidinyl)-2-oxoethyl] ester IUPAC Name: [2-(2-methylpiperidin-1-yl)-2-oxoethyl] 4-[methyl-(4-methylphenyl)sulfonylamino]benzoate Traditional Name: 4-[methyl(tosyl)amino]benzoic acid [2-keto-2-(2-methylpiperidino)ethyl] ester Formula: C23H28N2O5S MolecularWeight: 444.54382

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1C(=O)COC(=O)C2=CC=C(C=C2)N(C)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CC1CCCCN1C(=O)COC(=O)C2=CC=C(C=C2)N(C)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C23H28N2O5S/c1-17-7-13-21(14-8-17)31(28,29)24(3)20-11-9-19(10-12-20)23(27)30-16-22(26)25-15-5-4-6-18(25)2/h7-14,18H,4-6,15-16H2,1-3H3