7-chloranyl-4-[3-(methylsulfonylamino)-5-oxidanylidene-1-phenyl-2H-pyrrol-4-yl]-1,2,3,4-tetrahydroquinoline-2-carboxylic acid

Systemtic Name: 7-chloranyl-4-[3-(methylsulfonylamino)-5-oxidanylidene-1-phenyl-2H-pyrrol-4-yl]-1,2,3,4-tetrahydroquinoline-2-carboxylic acid Openeye Name: 7-chloro-4-[3-(methanesulfonamido)-5-oxo-1-phenyl-2H-pyrrol-4-yl]-1,2,3,4-tetrahydroquinoline-2-carboxylic acid CAS Name: 7-chloro-4-[3-(methanesulfonamido)-5-oxo-1-phenyl-2H-pyrrol-4-yl]-1,2,3,4-tetrahydroquinoline-2-carboxylic acid IUPAC Name: 7-chloro-4-[3-(methanesulfonamido)-5-oxo-1-phenyl-2H-pyrrol-4-yl]-1,2,3,4-tetrahydroquinoline-2-carboxylic acid Traditional Name: 7-chloro-4-[2-keto-4-(methanesulfonamido)-1-phenyl-3-pyrrolin-3-yl]-1,2,3,4-tetrahydroquinoline-2-carboxylic acid Formula: C21H20ClN3O5S MolecularWeight: 461.9186

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NC1=C(C(=O)N(C1)C2=CC=CC=C2)C3CC(NC4=C3C=CC(=C4)Cl)C(=O)O

Isomeric SMILES

CS(=O)(=O)NC1=C(C(=O)N(C1)C2=CC=CC=C2)C3CC(NC4=C3C=CC(=C4)Cl)C(=O)O

InChI

InChI=1S/C21H20ClN3O5S/c1-31(29,30)24-18-11-25(13-5-3-2-4-6-13)20(26)19(18)15-10-17(21(27)28)23-16-9-12(22)7-8-14(15)16/h2-9,15,17,23-24H,10-11H2,1H3,(H,27,28)