3-chloranyl-5-[(2S)-5-methyl-3-oxidanylidene-2,4-dihydropyrrol-2-yl]benzenesulfonic acid

Systemtic Name: 3-chloranyl-5-[(2S)-5-methyl-3-oxidanylidene-2,4-dihydropyrrol-2-yl]benzenesulfonic acid Openeye Name: 3-chloro-5-[(2S)-5-methyl-3-oxo-2,4-dihydropyrrol-2-yl]benzenesulfonic acid CAS Name: 3-chloro-5-[(2S)-5-methyl-3-oxo-2,4-dihydropyrrol-2-yl]benzenesulfonic acid IUPAC Name: 3-chloro-5-[(2S)-5-methyl-3-oxo-2,4-dihydropyrrol-2-yl]benzenesulfonic acid Traditional Name: 3-chloro-5-[(2S)-3-keto-5-methyl-1-pyrrolin-2-yl]besylic acid Formula: C11H10ClNO4S MolecularWeight: 287.7194

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(C(=O)C1)C2=CC(=CC(=C2)Cl)S(=O)(=O)O

Isomeric SMILES

CC1=N[C@H](C(=O)C1)C2=CC(=CC(=C2)Cl)S(=O)(=O)O

InChI

InChI=1S/C11H10ClNO4S/c1-6-2-10(14)11(13-6)7-3-8(12)5-9(4-7)18(15,16)17/h3-5,11H,2H2,1H3,(H,15,16,17)/t11-/m0/s1