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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)C2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)C2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

InChI

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