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

Systemtic Name: methyl 4-methyl-3-[[1-[(3-methylphenyl)methylsulfonyl]piperidin-4-yl]carbonylamino]benzoate Openeye Name: methyl 4-methyl-3-[[1-(m-tolylmethylsulfonyl)piperidine-4-carbonyl]amino]benzoate CAS Name: 4-methyl-3-[[[1-[(3-methylphenyl)methylsulfonyl]-4-piperidinyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-methyl-3-[[1-[(3-methylphenyl)methylsulfonyl]piperidine-4-carbonyl]amino]benzoate Traditional Name: 4-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=C(C=CC(=C3)C(=O)OC)C

Isomeric SMILES

CC1=CC(=CC=C1)CS(=O)(=O)N2CCC(CC2)C(=O)NC3=C(C=CC(=C3)C(=O)OC)C

InChI

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