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

Systemtic Name: 4-[5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylindolin-1-yl]-4-oxo-butanoic acid CAS Name: 4-[5-[[4-(3-chlorophenyl)-1-piperazinyl]sulfonyl]-2,3-dihydroindol-1-yl]-4-oxobutanoic acid IUPAC Name: 4-[5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]-4-oxobutanoic acid Traditional Name: 4-[5-[4-(3-chlorophenyl)piperazino]sulfonylindolin-1-yl]-4-keto-butyric acid Formula: C22H24ClN3O5S MolecularWeight: 477.96106

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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)CCC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C22H24ClN3O5S/c23-17-2-1-3-18(15-17)24-10-12-25(13-11-24)32(30,31)19-4-5-20-16(14-19)8-9-26(20)21(27)6-7-22(28)29/h1-5,14-15H,6-13H2,(H,28,29)