2-[(1-methyl-4-pyrrolidin-1-ylsulfonyl-pyrrol-2-yl)carbonylamino]ethanoate

Systemtic Name: 2-[(1-methyl-4-pyrrolidin-1-ylsulfonyl-pyrrol-2-yl)carbonylamino]ethanoate Openeye Name: 2-[(1-methyl-4-pyrrolidin-1-ylsulfonyl-pyrrole-2-carbonyl)amino]acetate CAS Name: 2-[[[1-methyl-4-(1-pyrrolidinylsulfonyl)-2-pyrrolyl]-oxomethyl]amino]acetate IUPAC Name: 2-[(1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carbonyl)amino]acetate Traditional Name: 2-[(1-methyl-4-pyrrolidinosulfonyl-pyrrole-2-carbonyl)amino]acetate Formula: C12H16N3O5S- MolecularWeight: 314.33754

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)NCC(=O)[O-])S(=O)(=O)N2CCCC2

Isomeric SMILES

CN1C=C(C=C1C(=O)NCC(=O)[O-])S(=O)(=O)N2CCCC2

InChI

InChI=1S/C12H17N3O5S/c1-14-8-9(21(19,20)15-4-2-3-5-15)6-10(14)12(18)13-7-11(16)17/h6,8H,2-5,7H2,1H3,(H,13,18)(H,16,17)/p-1