2-[[4,5-bis(chloranyl)-1-methyl-pyrrol-2-yl]carbonylamino]-4-methylsulfonyl-butanoic acid

Systemtic Name: 2-[[4,5-bis(chloranyl)-1-methyl-pyrrol-2-yl]carbonylamino]-4-methylsulfonyl-butanoic acid Openeye Name: 2-[(4,5-dichloro-1-methyl-pyrrole-2-carbonyl)amino]-4-methylsulfonyl-butanoic acid CAS Name: 2-[[(4,5-dichloro-1-methyl-2-pyrrolyl)-oxomethyl]amino]-4-methylsulfonylbutanoic acid IUPAC Name: 2-[(4,5-dichloro-1-methylpyrrole-2-carbonyl)amino]-4-methylsulfonylbutanoic acid Traditional Name: 2-[(4,5-dichloro-1-methyl-pyrrole-2-carbonyl)amino]-4-mesyl-butyric acid Formula: C11H14Cl2N2O5S MolecularWeight: 357.21026

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC(=C1Cl)Cl)C(=O)NC(CCS(=O)(=O)C)C(=O)O

Isomeric SMILES

CN1C(=CC(=C1Cl)Cl)C(=O)NC(CCS(=O)(=O)C)C(=O)O

InChI

InChI=1S/C11H14Cl2N2O5S/c1-15-8(5-6(12)9(15)13)10(16)14-7(11(17)18)3-4-21(2,19)20/h5,7H,3-4H2,1-2H3,(H,14,16)(H,17,18)