(2S)-2-[[4,5-bis(chloranyl)-1H-pyrrol-2-yl]carbonylamino]-4-methylsulfonyl-butanoate

Systemtic Name: (2S)-2-[[4,5-bis(chloranyl)-1H-pyrrol-2-yl]carbonylamino]-4-methylsulfonyl-butanoate Openeye Name: (2S)-2-[(4,5-dichloro-1H-pyrrole-2-carbonyl)amino]-4-methylsulfonyl-butanoate CAS Name: (2S)-2-[[(4,5-dichloro-1H-pyrrol-2-yl)-oxomethyl]amino]-4-methylsulfonylbutanoate IUPAC Name: (2S)-2-[(4,5-dichloro-1H-pyrrole-2-carbonyl)amino]-4-methylsulfonylbutanoate Traditional Name: (2S)-2-[(4,5-dichloro-1H-pyrrole-2-carbonyl)amino]-4-mesyl-butyrate Formula: C10H11Cl2N2O5S- MolecularWeight: 342.17574

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCC(C(=O)[O-])NC(=O)C1=CC(=C(N1)Cl)Cl

Isomeric SMILES

CS(=O)(=O)CC[C@@H](C(=O)[O-])NC(=O)C1=CC(=C(N1)Cl)Cl

InChI

InChI=1S/C10H12Cl2N2O5S/c1-20(18,19)3-2-6(10(16)17)14-9(15)7-4-5(11)8(12)13-7/h4,6,13H,2-3H2,1H3,(H,14,15)(H,16,17)/p-1/t6-/m0/s1