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

Systemtic Name: methyl 4-[[1-(4-methylphenyl)sulfonylpiperidin-4-yl]carbonylamino]benzoate Openeye Name: methyl 4-[[1-(p-tolylsulfonyl)piperidine-4-carbonyl]amino]benzoate CAS Name: 4-[[[1-(4-methylphenyl)sulfonyl-4-piperidinyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[1-(4-methylphenyl)sulfonylpiperidine-4-carbonyl]amino]benzoate Traditional Name: 4-[(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=C(C=C3)C(=O)OC

Isomeric SMILES

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

InChI

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