[1-oxidanylidene-1-(propan-2-ylcarbamoylamino)propan-2-yl] 5-piperidin-1-ylsulfonyl-2-pyrrolidin-1-yl-benzoate

Systemtic Name: [1-oxidanylidene-1-(propan-2-ylcarbamoylamino)propan-2-yl] 5-piperidin-1-ylsulfonyl-2-pyrrolidin-1-yl-benzoate Openeye Name: [2-(isopropylcarbamoylamino)-1-methyl-2-oxo-ethyl] 5-(1-piperidylsulfonyl)-2-pyrrolidin-1-yl-benzoate CAS Name: 5-(1-piperidinylsulfonyl)-2-(1-pyrrolidinyl)benzoic acid [1-oxo-1-[[oxo-(propan-2-ylamino)methyl]amino]propan-2-yl] ester IUPAC Name: [1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 5-piperidin-1-ylsulfonyl-2-pyrrolidin-1-ylbenzoate Traditional Name: 5-piperidinosulfonyl-2-pyrrolidino-benzoic acid [2-(isopropylcarbamoylamino)-2-keto-1-methyl-ethyl] ester Formula: C23H34N4O6S MolecularWeight: 494.60426

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)NC(=O)C(C)OC(=O)C1=C(C=CC(=C1)S(=O)(=O)N2CCCCC2)N3CCCC3

Isomeric SMILES

CC(C)NC(=O)NC(=O)C(C)OC(=O)C1=C(C=CC(=C1)S(=O)(=O)N2CCCCC2)N3CCCC3

InChI

InChI=1S/C23H34N4O6S/c1-16(2)24-23(30)25-21(28)17(3)33-22(29)19-15-18(9-10-20(19)26-11-7-8-12-26)34(31,32)27-13-5-4-6-14-27/h9-10,15-17H,4-8,11-14H2,1-3H3,(H2,24,25,28,30)