methyl 3-[[1-(4-methylphenyl)sulfonylpiperidin-4-yl]carbonylamino]benzoate

Systemtic Name: methyl 3-[[1-(4-methylphenyl)sulfonylpiperidin-4-yl]carbonylamino]benzoate Openeye Name: methyl 3-[[1-(p-tolylsulfonyl)piperidine-4-carbonyl]amino]benzoate CAS Name: 3-[[[1-(4-methylphenyl)sulfonyl-4-piperidinyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[1-(4-methylphenyl)sulfonylpiperidine-4-carbonyl]amino]benzoate Traditional Name: 3-[(1-tosylisonipecotoyl)amino]benzoic acid methyl ester Formula: C21H24N2O5S MolecularWeight: 416.49066

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC=CC(=C3)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC=CC(=C3)C(=O)OC

InChI

InChI=1S/C21H24N2O5S/c1-15-6-8-19(9-7-15)29(26,27)23-12-10-16(11-13-23)20(24)22-18-5-3-4-17(14-18)21(25)28-2/h3-9,14,16H,10-13H2,1-2H3,(H,22,24)