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

Systemtic Name: methyl 4-[[1-(phenylmethyl)sulfonylpiperidin-4-yl]carbonylamino]benzoate Openeye Name: methyl 4-[(1-benzylsulfonylpiperidine-4-carbonyl)amino]benzoate CAS Name: 4-[[oxo-[1-(phenylmethyl)sulfonyl-4-piperidinyl]methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[(1-benzylsulfonylpiperidine-4-carbonyl)amino]benzoate Traditional Name: 4-[(1-benzylsulfonylisonipecotoyl)amino]benzoic acid methyl ester Formula: C21H24N2O5S MolecularWeight: 416.49066

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)C2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)C2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C21H24N2O5S/c1-28-21(25)18-7-9-19(10-8-18)22-20(24)17-11-13-23(14-12-17)29(26,27)15-16-5-3-2-4-6-16/h2-10,17H,11-15H2,1H3,(H,22,24)