methyl 2-[[3-methyl-2-[[1-(4-methylphenyl)sulfonylpiperidin-4-yl]carbonylamino]butanoyl]amino]benzoate

Systemtic Name: methyl 2-[[3-methyl-2-[[1-(4-methylphenyl)sulfonylpiperidin-4-yl]carbonylamino]butanoyl]amino]benzoate Openeye Name: methyl 2-[[3-methyl-2-[[1-(p-tolylsulfonyl)piperidine-4-carbonyl]amino]butanoyl]amino]benzoate CAS Name: 2-[[3-methyl-2-[[[1-(4-methylphenyl)sulfonyl-4-piperidinyl]-oxomethyl]amino]-1-oxobutyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[3-methyl-2-[[1-(4-methylphenyl)sulfonylpiperidine-4-carbonyl]amino]butanoyl]amino]benzoate Traditional Name: 2-[[3-methyl-2-[(1-tosylisonipecotoyl)amino]butanoyl]amino]benzoic acid methyl ester Formula: C26H33N3O6S MolecularWeight: 515.62172

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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)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)C)C(=O)NC3=CC=CC=C3C(=O)OC

InChI

InChI=1S/C26H33N3O6S/c1-17(2)23(25(31)27-22-8-6-5-7-21(22)26(32)35-4)28-24(30)19-13-15-29(16-14-19)36(33,34)20-11-9-18(3)10-12-20/h5-12,17,19,23H,13-16H2,1-4H3,(H,27,31)(H,28,30)