4-[5-[4-(3-chloranyl-4-methyl-phenyl)piperazin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[5-[4-(3-chloranyl-4-methyl-phenyl)piperazin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[5-[4-(3-chloro-4-methyl-phenyl)piperazin-1-yl]sulfonylindolin-1-yl]-4-oxo-butanoic acid CAS Name: 4-[5-[[4-(3-chloro-4-methylphenyl)-1-piperazinyl]sulfonyl]-2,3-dihydroindol-1-yl]-4-oxobutanoic acid IUPAC Name: 4-[5-[4-(3-chloro-4-methylphenyl)piperazin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]-4-oxobutanoic acid Traditional Name: 4-[5-[4-(3-chloro-4-methyl-phenyl)piperazino]sulfonylindolin-1-yl]-4-keto-butyric acid Formula: C23H26ClN3O5S MolecularWeight: 491.98764

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)N(CC4)C(=O)CCC(=O)O)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)N2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)N(CC4)C(=O)CCC(=O)O)Cl

InChI

InChI=1S/C23H26ClN3O5S/c1-16-2-3-18(15-20(16)24)25-10-12-26(13-11-25)33(31,32)19-4-5-21-17(14-19)8-9-27(21)22(28)6-7-23(29)30/h2-5,14-15H,6-13H2,1H3,(H,29,30)