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

Systemtic Name: methyl 2-[[1-[(2-methylphenyl)methylsulfonyl]piperidin-4-yl]carbonylamino]benzoate Openeye Name: methyl 2-[[1-(o-tolylmethylsulfonyl)piperidine-4-carbonyl]amino]benzoate CAS Name: 2-[[[1-[(2-methylphenyl)methylsulfonyl]-4-piperidinyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[1-[(2-methylphenyl)methylsulfonyl]piperidine-4-carbonyl]amino]benzoate Traditional Name: 2-[[1-(2-methylbenzyl)sulfonylisonipecotoyl]amino]benzoic acid methyl ester Formula: C22H26N2O5S MolecularWeight: 430.51724

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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