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

Systemtic Name: ethyl 4-methyl-3-[[1-[(3-methylphenyl)methylsulfonyl]piperidin-4-yl]carbonylamino]benzoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 4-methyl-3-[[1-[(3-methylphenyl)methylsulfonyl]piperidine-4-carbonyl]amino]benzoate Traditional Name: 4-methyl-3-[[1-(3-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)C)NC(=O)C2CCN(CC2)S(=O)(=O)CC3=CC=CC(=C3)C

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)C)NC(=O)C2CCN(CC2)S(=O)(=O)CC3=CC=CC(=C3)C

InChI

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