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

Systemtic Name: methyl 2-methyl-3-[[1-[(2-methylphenyl)methylsulfonyl]piperidin-4-yl]carbonylamino]benzoate Openeye Name: methyl 2-methyl-3-[[1-(o-tolylmethylsulfonyl)piperidine-4-carbonyl]amino]benzoate CAS Name: 2-methyl-3-[[[1-[(2-methylphenyl)methylsulfonyl]-4-piperidinyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-methyl-3-[[1-[(2-methylphenyl)methylsulfonyl]piperidine-4-carbonyl]amino]benzoate Traditional Name: 2-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=CC=CC=C1CS(=O)(=O)N2CCC(CC2)C(=O)NC3=CC=CC(=C3C)C(=O)OC

Isomeric SMILES

CC1=CC=CC=C1CS(=O)(=O)N2CCC(CC2)C(=O)NC3=CC=CC(=C3C)C(=O)OC

InChI

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