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

Systemtic Name: methyl 3-[[1-[(3-methylphenyl)methylsulfonyl]piperidin-4-yl]carbonylamino]benzoate Openeye Name: methyl 3-[[1-(m-tolylmethylsulfonyl)piperidine-4-carbonyl]amino]benzoate CAS Name: 3-[[[1-[(3-methylphenyl)methylsulfonyl]-4-piperidinyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[1-[(3-methylphenyl)methylsulfonyl]piperidine-4-carbonyl]amino]benzoate Traditional Name: 3-[[1-(3-methylbenzyl)sulfonylisonipecotoyl]amino]benzoic acid methyl ester Formula: C22H26N2O5S MolecularWeight: 430.51724

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O5S/c1-16-5-3-6-17(13-16)15-30(27,28)24-11-9-18(10-12-24)21(25)23-20-8-4-7-19(14-20)22(26)29-2/h3-8,13-14,18H,9-12,15H2,1-2H3,(H,23,25)