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

Systemtic Name: methyl 2-[2-[[1-(4-methylphenyl)sulfonylpiperidin-4-yl]carbonylamino]propanoylamino]benzoate Openeye Name: methyl 2-[2-[[1-(p-tolylsulfonyl)piperidine-4-carbonyl]amino]propanoylamino]benzoate CAS Name: 2-[[2-[[[1-(4-methylphenyl)sulfonyl-4-piperidinyl]-oxomethyl]amino]-1-oxopropyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[2-[[1-(4-methylphenyl)sulfonylpiperidine-4-carbonyl]amino]propanoylamino]benzoate Traditional Name: 2-[2-[(1-tosylisonipecotoyl)amino]propanoylamino]benzoic acid methyl ester Formula: C24H29N3O6S MolecularWeight: 487.56856

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC(C)C(=O)NC3=CC=CC=C3C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC(C)C(=O)NC3=CC=CC=C3C(=O)OC

InChI

InChI=1S/C24H29N3O6S/c1-16-8-10-19(11-9-16)34(31,32)27-14-12-18(13-15-27)23(29)25-17(2)22(28)26-21-7-5-4-6-20(21)24(30)33-3/h4-11,17-18H,12-15H2,1-3H3,(H,25,29)(H,26,28)