4-[5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]-2-oxidanyl-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]-2-oxidanyl-4-oxidanylidene-butanoic acid Openeye Name: 4-[5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylindolin-1-yl]-2-hydroxy-4-oxo-butanoic acid CAS Name: 4-[5-[[4-(3-chlorophenyl)-1-piperazinyl]sulfonyl]-2,3-dihydroindol-1-yl]-2-hydroxy-4-oxobutanoic acid IUPAC Name: 4-[5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]-2-hydroxy-4-oxobutanoic acid Traditional Name: 4-[5-[4-(3-chlorophenyl)piperazino]sulfonylindolin-1-yl]-2-hydroxy-4-keto-butyric acid Formula: C22H24ClN3O6S MolecularWeight: 493.96046

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=C1C=C(C=C2)S(=O)(=O)N3CCN(CC3)C4=CC(=CC=C4)Cl)C(=O)CC(C(=O)O)O

Isomeric SMILES

C1CN(C2=C1C=C(C=C2)S(=O)(=O)N3CCN(CC3)C4=CC(=CC=C4)Cl)C(=O)CC(C(=O)O)O

InChI

InChI=1S/C22H24ClN3O6S/c23-16-2-1-3-17(13-16)24-8-10-25(11-9-24)33(31,32)18-4-5-19-15(12-18)6-7-26(19)21(28)14-20(27)22(29)30/h1-5,12-13,20,27H,6-11,14H2,(H,29,30)