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

Systemtic Name: (2S)-2-[(4-chloranyl-1H-pyrrol-2-yl)carbonylamino]-4-methylsulfonyl-butanoate Openeye Name: (2S)-2-[(4-chloro-1H-pyrrole-2-carbonyl)amino]-4-methylsulfonyl-butanoate CAS Name: (2S)-2-[[(4-chloro-1H-pyrrol-2-yl)-oxomethyl]amino]-4-methylsulfonylbutanoate IUPAC Name: (2S)-2-[(4-chloro-1H-pyrrole-2-carbonyl)amino]-4-methylsulfonylbutanoate Traditional Name: (2S)-2-[(4-chloro-1H-pyrrole-2-carbonyl)amino]-4-mesyl-butyrate Formula: C10H12ClN2O5S- MolecularWeight: 307.73068

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCC(C(=O)[O-])NC(=O)C1=CC(=CN1)Cl

Isomeric SMILES

CS(=O)(=O)CC[C@@H](C(=O)[O-])NC(=O)C1=CC(=CN1)Cl

InChI

InChI=1S/C10H13ClN2O5S/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)/p-1/t7-/m0/s1