methyl 2-[[1-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]carbonylpyrrolidin-2-yl]carbonylamino]benzoate

Systemtic Name: methyl 2-[[1-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]carbonylpyrrolidin-2-yl]carbonylamino]benzoate Openeye Name: methyl 2-[[1-[1-(p-tolylsulfonyl)piperidine-4-carbonyl]pyrrolidine-2-carbonyl]amino]benzoate CAS Name: 2-[[[1-[[1-(4-methylphenyl)sulfonyl-4-piperidinyl]-oxomethyl]-2-pyrrolidinyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[1-[1-(4-methylphenyl)sulfonylpiperidine-4-carbonyl]pyrrolidine-2-carbonyl]amino]benzoate Traditional Name: 2-[[1-(1-tosylisonipecotoyl)prolyl]amino]benzoic acid methyl ester Formula: C26H31N3O6S MolecularWeight: 513.60584

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=CC=CC=C4C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=CC=CC=C4C(=O)OC

InChI

InChI=1S/C26H31N3O6S/c1-18-9-11-20(12-10-18)36(33,34)28-16-13-19(14-17-28)25(31)29-15-5-8-23(29)24(30)27-22-7-4-3-6-21(22)26(32)35-2/h3-4,6-7,9-12,19,23H,5,8,13-17H2,1-2H3,(H,27,30)