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

Systemtic Name: ethyl 4-[[1-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]carbonylpyrrolidin-2-yl]carbonylamino]benzoate Openeye Name: ethyl 4-[[1-[1-(p-tolylsulfonyl)piperidine-4-carbonyl]pyrrolidine-2-carbonyl]amino]benzoate CAS Name: 4-[[[1-[[1-(4-methylphenyl)sulfonyl-4-piperidinyl]-oxomethyl]-2-pyrrolidinyl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[1-[1-(4-methylphenyl)sulfonylpiperidine-4-carbonyl]pyrrolidine-2-carbonyl]amino]benzoate Traditional Name: 4-[[1-(1-tosylisonipecotoyl)prolyl]amino]benzoic acid ethyl ester Formula: C27H33N3O6S MolecularWeight: 527.63242

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2CCCN2C(=O)C3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2CCCN2C(=O)C3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C27H33N3O6S/c1-3-36-27(33)21-8-10-22(11-9-21)28-25(31)24-5-4-16-30(24)26(32)20-14-17-29(18-15-20)37(34,35)23-12-6-19(2)7-13-23/h6-13,20,24H,3-5,14-18H2,1-2H3,(H,28,31)