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

Systemtic Name: methyl 3-[[4-(4-methylphenyl)sulfonylpiperidin-1-yl]carbonylamino]benzoate Openeye Name: methyl 3-[[4-(p-tolylsulfonyl)piperidine-1-carbonyl]amino]benzoate CAS Name: 3-[[[4-(4-methylphenyl)sulfonyl-1-piperidinyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[4-(4-methylphenyl)sulfonylpiperidine-1-carbonyl]amino]benzoate Traditional Name: 3-[(4-tosylpiperidine-1-carbonyl)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)C2CCN(CC2)C(=O)NC3=CC=CC(=C3)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2CCN(CC2)C(=O)NC3=CC=CC(=C3)C(=O)OC

InChI

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