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

Systemtic Name: 2-[(4-chloranyl-1-methyl-pyrrol-2-yl)carbonylamino]-4-methylsulfonyl-butanoic acid Openeye Name: 2-[(4-chloro-1-methyl-pyrrole-2-carbonyl)amino]-4-methylsulfonyl-butanoic acid CAS Name: 2-[[(4-chloro-1-methyl-2-pyrrolyl)-oxomethyl]amino]-4-methylsulfonylbutanoic acid IUPAC Name: 2-[(4-chloro-1-methylpyrrole-2-carbonyl)amino]-4-methylsulfonylbutanoic acid Traditional Name: 2-[(4-chloro-1-methyl-pyrrole-2-carbonyl)amino]-4-mesyl-butyric acid Formula: C11H15ClN2O5S MolecularWeight: 322.7652

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)NC(CCS(=O)(=O)C)C(=O)O)Cl

Isomeric SMILES

CN1C=C(C=C1C(=O)NC(CCS(=O)(=O)C)C(=O)O)Cl

InChI

InChI=1S/C11H15ClN2O5S/c1-14-6-7(12)5-9(14)10(15)13-8(11(16)17)3-4-20(2,18)19/h5-6,8H,3-4H2,1-2H3,(H,13,15)(H,16,17)