2-[(4-bromanyl-1H-pyrrol-2-yl)carbonylamino]-4-methylsulfonyl-butanoic acid

Systemtic Name: 2-[(4-bromanyl-1H-pyrrol-2-yl)carbonylamino]-4-methylsulfonyl-butanoic acid Openeye Name: 2-[(4-bromo-1H-pyrrole-2-carbonyl)amino]-4-methylsulfonyl-butanoic acid CAS Name: 2-[[(4-bromo-1H-pyrrol-2-yl)-oxomethyl]amino]-4-methylsulfonylbutanoic acid IUPAC Name: 2-[(4-bromo-1H-pyrrole-2-carbonyl)amino]-4-methylsulfonylbutanoic acid Traditional Name: 2-[(4-bromo-1H-pyrrole-2-carbonyl)amino]-4-mesyl-butyric acid Formula: C10H13BrN2O5S MolecularWeight: 353.18962

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCC(C(=O)O)NC(=O)C1=CC(=CN1)Br

Isomeric SMILES

CS(=O)(=O)CCC(C(=O)O)NC(=O)C1=CC(=CN1)Br

InChI

InChI=1S/C10H13BrN2O5S/c1-19(17,18)3-2-7(10(15)16)13-9(14)8-4-6(11)5-12-8/h4-5,7,12H,2-3H2,1H3,(H,13,14)(H,15,16)