ethyl 3-[2-[[1-(4-methylphenyl)sulfonylpiperidin-4-yl]carbonylamino]propanoylamino]benzoate

Systemtic Name: ethyl 3-[2-[[1-(4-methylphenyl)sulfonylpiperidin-4-yl]carbonylamino]propanoylamino]benzoate Openeye Name: ethyl 3-[2-[[1-(p-tolylsulfonyl)piperidine-4-carbonyl]amino]propanoylamino]benzoate CAS Name: 3-[[2-[[[1-(4-methylphenyl)sulfonyl-4-piperidinyl]-oxomethyl]amino]-1-oxopropyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[2-[[1-(4-methylphenyl)sulfonylpiperidine-4-carbonyl]amino]propanoylamino]benzoate Traditional Name: 3-[2-[(1-tosylisonipecotoyl)amino]propanoylamino]benzoic acid ethyl ester Formula: C25H31N3O6S MolecularWeight: 501.59514

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC(=O)C(C)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=O)C(C)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C25H31N3O6S/c1-4-34-25(31)20-6-5-7-21(16-20)27-23(29)18(3)26-24(30)19-12-14-28(15-13-19)35(32,33)22-10-8-17(2)9-11-22/h5-11,16,18-19H,4,12-15H2,1-3H3,(H,26,30)(H,27,29)