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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CS(=O)(=O)N2CCC(CC2)C(=O)NC3=CC=CC(=C3C)C(=O)OC

Isomeric SMILES

CC1=CC(=CC=C1)CS(=O)(=O)N2CCC(CC2)C(=O)NC3=CC=CC(=C3C)C(=O)OC

InChI

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