methyl 4-methyl-3-[[1-[(2-methylphenyl)methylsulfonyl]piperidin-4-yl]carbonylamino]benzoate

Systemtic Name: methyl 4-methyl-3-[[1-[(2-methylphenyl)methylsulfonyl]piperidin-4-yl]carbonylamino]benzoate Openeye Name: methyl 4-methyl-3-[[1-(o-tolylmethylsulfonyl)piperidine-4-carbonyl]amino]benzoate CAS Name: 4-methyl-3-[[[1-[(2-methylphenyl)methylsulfonyl]-4-piperidinyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-methyl-3-[[1-[(2-methylphenyl)methylsulfonyl]piperidine-4-carbonyl]amino]benzoate Traditional Name: 4-methyl-3-[[1-(2-methylbenzyl)sulfonylisonipecotoyl]amino]benzoic acid methyl ester Formula: C23H28N2O5S MolecularWeight: 444.54382

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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=C3C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)C2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3C

InChI

InChI=1S/C23H28N2O5S/c1-16-6-4-5-7-20(16)15-31(28,29)25-12-10-18(11-13-25)22(26)24-21-14-19(23(27)30-3)9-8-17(21)2/h4-9,14,18H,10-13,15H2,1-3H3,(H,24,26)