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

Systemtic Name: ethyl 3-[[3-methyl-2-[[1-(4-methylphenyl)sulfonylpiperidin-4-yl]carbonylamino]butanoyl]amino]benzoate Openeye Name: ethyl 3-[[3-methyl-2-[[1-(p-tolylsulfonyl)piperidine-4-carbonyl]amino]butanoyl]amino]benzoate CAS Name: 3-[[3-methyl-2-[[[1-(4-methylphenyl)sulfonyl-4-piperidinyl]-oxomethyl]amino]-1-oxobutyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[3-methyl-2-[[1-(4-methylphenyl)sulfonylpiperidine-4-carbonyl]amino]butanoyl]amino]benzoate Traditional Name: 3-[[3-methyl-2-[(1-tosylisonipecotoyl)amino]butanoyl]amino]benzoic acid ethyl ester Formula: C27H35N3O6S MolecularWeight: 529.6483

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C27H35N3O6S/c1-5-36-27(33)21-7-6-8-22(17-21)28-26(32)24(18(2)3)29-25(31)20-13-15-30(16-14-20)37(34,35)23-11-9-19(4)10-12-23/h6-12,17-18,20,24H,5,13-16H2,1-4H3,(H,28,32)(H,29,31)