2-[methyl-[(4-morpholin-4-ylsulfonyl-1H-pyrrol-2-yl)carbonyl]amino]ethanoic acid

Systemtic Name: 2-[methyl-[(4-morpholin-4-ylsulfonyl-1H-pyrrol-2-yl)carbonyl]amino]ethanoic acid Openeye Name: 2-[methyl-(4-morpholinosulfonyl-1H-pyrrole-2-carbonyl)amino]acetic acid CAS Name: 2-[methyl-[[4-(4-morpholinylsulfonyl)-1H-pyrrol-2-yl]-oxomethyl]amino]acetic acid IUPAC Name: 2-[methyl-(4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carbonyl)amino]acetic acid Traditional Name: 2-[methyl-(4-morpholinosulfonyl-1H-pyrrole-2-carbonyl)amino]acetic acid Formula: C12H17N3O6S MolecularWeight: 331.34488

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)O)C(=O)C1=CC(=CN1)S(=O)(=O)N2CCOCC2

Isomeric SMILES

CN(CC(=O)O)C(=O)C1=CC(=CN1)S(=O)(=O)N2CCOCC2

InChI

InChI=1S/C12H17N3O6S/c1-14(8-11(16)17)12(18)10-6-9(7-13-10)22(19,20)15-2-4-21-5-3-15/h6-7,13H,2-5,8H2,1H3,(H,16,17)