[2-(3-methylbutylamino)-2-oxidanylidene-ethyl] 4-pyrrolidin-1-ylsulfonyl-1H-pyrrole-2-carboxylate

Systemtic Name: [2-(3-methylbutylamino)-2-oxidanylidene-ethyl] 4-pyrrolidin-1-ylsulfonyl-1H-pyrrole-2-carboxylate Openeye Name: [2-(isopentylamino)-2-oxo-ethyl] 4-pyrrolidin-1-ylsulfonyl-1H-pyrrole-2-carboxylate CAS Name: 4-(1-pyrrolidinylsulfonyl)-1H-pyrrole-2-carboxylic acid [2-(3-methylbutylamino)-2-oxoethyl] ester IUPAC Name: [2-(3-methylbutylamino)-2-oxoethyl] 4-pyrrolidin-1-ylsulfonyl-1H-pyrrole-2-carboxylate Traditional Name: 4-pyrrolidinosulfonyl-1H-pyrrole-2-carboxylic acid [2-(isoamylamino)-2-keto-ethyl] ester Formula: C16H25N3O5S MolecularWeight: 371.4518

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)COC(=O)C1=CC(=CN1)S(=O)(=O)N2CCCC2

Isomeric SMILES

CC(C)CCNC(=O)COC(=O)C1=CC(=CN1)S(=O)(=O)N2CCCC2

InChI

InChI=1S/C16H25N3O5S/c1-12(2)5-6-17-15(20)11-24-16(21)14-9-13(10-18-14)25(22,23)19-7-3-4-8-19/h9-10,12,18H,3-8,11H2,1-2H3,(H,17,20)