[2-oxidanylidene-2-[[(2S)-pentan-2-yl]amino]ethyl] 1-methyl-4-pyrrolidin-1-ylsulfonyl-pyrrole-2-carboxylate

Systemtic Name: [2-oxidanylidene-2-[[(2S)-pentan-2-yl]amino]ethyl] 1-methyl-4-pyrrolidin-1-ylsulfonyl-pyrrole-2-carboxylate Openeye Name: [2-[[(1S)-1-methylbutyl]amino]-2-oxo-ethyl] 1-methyl-4-pyrrolidin-1-ylsulfonyl-pyrrole-2-carboxylate CAS Name: 1-methyl-4-(1-pyrrolidinylsulfonyl)-2-pyrrolecarboxylic acid [2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] ester IUPAC Name: [2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] 1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxylate Traditional Name: 1-methyl-4-pyrrolidinosulfonyl-pyrrole-2-carboxylic acid [2-keto-2-[[(1S)-1-methylbutyl]amino]ethyl] ester Formula: C17H27N3O5S MolecularWeight: 385.47838

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)NC(=O)COC(=O)C1=CC(=CN1C)S(=O)(=O)N2CCCC2

Isomeric SMILES

CCC[C@H](C)NC(=O)COC(=O)C1=CC(=CN1C)S(=O)(=O)N2CCCC2

InChI

InChI=1S/C17H27N3O5S/c1-4-7-13(2)18-16(21)12-25-17(22)15-10-14(11-19(15)3)26(23,24)20-8-5-6-9-20/h10-11,13H,4-9,12H2,1-3H3,(H,18,21)/t13-/m0/s1