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

Systemtic Name: methyl 2-[(4-pyrrolidin-1-ylsulfonyl-1H-pyrrol-2-yl)carbonylamino]ethanoate Openeye Name: methyl 2-[(4-pyrrolidin-1-ylsulfonyl-1H-pyrrole-2-carbonyl)amino]acetate CAS Name: 2-[[oxo-[4-(1-pyrrolidinylsulfonyl)-1H-pyrrol-2-yl]methyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[(4-pyrrolidin-1-ylsulfonyl-1H-pyrrole-2-carbonyl)amino]acetate Traditional Name: 2-[(4-pyrrolidinosulfonyl-1H-pyrrole-2-carbonyl)amino]acetic acid methyl ester Formula: C12H17N3O5S MolecularWeight: 315.34548

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CNC(=O)C1=CC(=CN1)S(=O)(=O)N2CCCC2

Isomeric SMILES

COC(=O)CNC(=O)C1=CC(=CN1)S(=O)(=O)N2CCCC2

InChI

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