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

Systemtic Name: sodium 4-[5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]-2-oxidanyl-4-oxidanylidene-butanoate Openeye Name: sodium 4-[5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylindolin-1-yl]-2-hydroxy-4-oxo-butanoate CAS Name: sodium 4-[5-[[4-(3-chlorophenyl)-1-piperazinyl]sulfonyl]-2,3-dihydroindol-1-yl]-2-hydroxy-4-oxobutanoate IUPAC Name: sodium 4-[5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]-2-hydroxy-4-oxobutanoate Traditional Name: sodium 4-[5-[4-(3-chlorophenyl)piperazino]sulfonylindolin-1-yl]-2-hydroxy-4-keto-butyrate Formula: C22H23ClN3NaO6S MolecularWeight: 515.94229

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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.[Na+]

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.[Na+]

InChI

InChI=1S/C22H24ClN3O6S.Na/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);/q;+1/p-1