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

Systemtic Name: 4-oxidanylidene-4-[5-(4-phenylpiperazin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]butanoic acid Openeye Name: 4-oxo-4-[5-(4-phenylpiperazin-1-yl)sulfonylindolin-1-yl]butanoic acid CAS Name: 4-oxo-4-[5-[(4-phenyl-1-piperazinyl)sulfonyl]-2,3-dihydroindol-1-yl]butanoic acid IUPAC Name: 4-oxo-4-[5-(4-phenylpiperazin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]butanoic acid Traditional Name: 4-keto-4-[5-(4-phenylpiperazino)sulfonylindolin-1-yl]butyric acid Formula: C22H25N3O5S MolecularWeight: 443.516

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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)C(=O)CCC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O5S/c26-21(8-9-22(27)28)25-11-10-17-16-19(6-7-20(17)25)31(29,30)24-14-12-23(13-15-24)18-4-2-1-3-5-18/h1-7,16H,8-15H2,(H,27,28)