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

Systemtic Name: ethyl 3-methyl-4-[[1-[(2-methylphenyl)methylsulfonyl]piperidin-4-yl]carbonylamino]benzoate Openeye Name: ethyl 3-methyl-4-[[1-(o-tolylmethylsulfonyl)piperidine-4-carbonyl]amino]benzoate CAS Name: 3-methyl-4-[[[1-[(2-methylphenyl)methylsulfonyl]-4-piperidinyl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-methyl-4-[[1-[(2-methylphenyl)methylsulfonyl]piperidine-4-carbonyl]amino]benzoate Traditional Name: 3-methyl-4-[[1-(2-methylbenzyl)sulfonylisonipecotoyl]amino]benzoic acid ethyl ester Formula: C24H30N2O5S MolecularWeight: 458.5704

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H30N2O5S/c1-4-31-24(28)20-9-10-22(18(3)15-20)25-23(27)19-11-13-26(14-12-19)32(29,30)16-21-8-6-5-7-17(21)2/h5-10,15,19H,4,11-14,16H2,1-3H3,(H,25,27)