methyl 4,5-dimethoxy-2-[2-[[1-(4-methylphenyl)sulfonylpiperidin-4-yl]carbonylamino]propanoylamino]benzoate

Systemtic Name: methyl 4,5-dimethoxy-2-[2-[[1-(4-methylphenyl)sulfonylpiperidin-4-yl]carbonylamino]propanoylamino]benzoate Openeye Name: methyl 4,5-dimethoxy-2-[2-[[1-(p-tolylsulfonyl)piperidine-4-carbonyl]amino]propanoylamino]benzoate CAS Name: 4,5-dimethoxy-2-[[2-[[[1-(4-methylphenyl)sulfonyl-4-piperidinyl]-oxomethyl]amino]-1-oxopropyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4,5-dimethoxy-2-[2-[[1-(4-methylphenyl)sulfonylpiperidine-4-carbonyl]amino]propanoylamino]benzoate Traditional Name: 4,5-dimethoxy-2-[2-[(1-tosylisonipecotoyl)amino]propanoylamino]benzoic acid methyl ester Formula: C26H33N3O8S MolecularWeight: 547.62052

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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(=C(C=C3C(=O)OC)OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C26H33N3O8S/c1-16-6-8-19(9-7-16)38(33,34)29-12-10-18(11-13-29)25(31)27-17(2)24(30)28-21-15-23(36-4)22(35-3)14-20(21)26(32)37-5/h6-9,14-15,17-18H,10-13H2,1-5H3,(H,27,31)(H,28,30)