methyl 2-chloranyl-5-[[1-[(2-methylphenyl)methylsulfonyl]piperidin-4-yl]carbonylamino]benzoate

Systemtic Name: methyl 2-chloranyl-5-[[1-[(2-methylphenyl)methylsulfonyl]piperidin-4-yl]carbonylamino]benzoate Openeye Name: methyl 2-chloro-5-[[1-(o-tolylmethylsulfonyl)piperidine-4-carbonyl]amino]benzoate CAS Name: 2-chloro-5-[[[1-[(2-methylphenyl)methylsulfonyl]-4-piperidinyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-chloro-5-[[1-[(2-methylphenyl)methylsulfonyl]piperidine-4-carbonyl]amino]benzoate Traditional Name: 2-chloro-5-[[1-(2-methylbenzyl)sulfonylisonipecotoyl]amino]benzoic acid methyl ester Formula: C22H25ClN2O5S MolecularWeight: 464.9623

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CS(=O)(=O)N2CCC(CC2)C(=O)NC3=CC(=C(C=C3)Cl)C(=O)OC

Isomeric SMILES

CC1=CC=CC=C1CS(=O)(=O)N2CCC(CC2)C(=O)NC3=CC(=C(C=C3)Cl)C(=O)OC

InChI

InChI=1S/C22H25ClN2O5S/c1-15-5-3-4-6-17(15)14-31(28,29)25-11-9-16(10-12-25)21(26)24-18-7-8-20(23)19(13-18)22(27)30-2/h3-8,13,16H,9-12,14H2,1-2H3,(H,24,26)