methyl 2-methyl-3-[[1-(phenylmethyl)sulfonylpiperidin-4-yl]carbonylamino]benzoate

Systemtic Name: methyl 2-methyl-3-[[1-(phenylmethyl)sulfonylpiperidin-4-yl]carbonylamino]benzoate Openeye Name: methyl 3-[(1-benzylsulfonylpiperidine-4-carbonyl)amino]-2-methyl-benzoate CAS Name: 2-methyl-3-[[oxo-[1-(phenylmethyl)sulfonyl-4-piperidinyl]methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[(1-benzylsulfonylpiperidine-4-carbonyl)amino]-2-methylbenzoate Traditional Name: 3-[(1-benzylsulfonylisonipecotoyl)amino]-2-methyl-benzoic acid methyl ester Formula: C22H26N2O5S MolecularWeight: 430.51724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1NC(=O)C2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CC1=C(C=CC=C1NC(=O)C2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C22H26N2O5S/c1-16-19(22(26)29-2)9-6-10-20(16)23-21(25)18-11-13-24(14-12-18)30(27,28)15-17-7-4-3-5-8-17/h3-10,18H,11-15H2,1-2H3,(H,23,25)