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

Systemtic Name: 4-oxidanylidene-4-[5-[4-(phenylmethyl)piperidin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]butanoic acid Openeye Name: 4-[5-[(4-benzyl-1-piperidyl)sulfonyl]indolin-1-yl]-4-oxo-butanoic acid CAS Name: 4-oxo-4-[5-[[4-(phenylmethyl)-1-piperidinyl]sulfonyl]-2,3-dihydroindol-1-yl]butanoic acid IUPAC Name: 4-[5-(4-benzylpiperidin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]-4-oxobutanoic acid Traditional Name: 4-[5-(4-benzylpiperidino)sulfonylindolin-1-yl]-4-keto-butyric acid Formula: C24H28N2O5S MolecularWeight: 456.55452

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)S(=O)(=O)C3=CC4=C(C=C3)N(CC4)C(=O)CCC(=O)O

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)S(=O)(=O)C3=CC4=C(C=C3)N(CC4)C(=O)CCC(=O)O

InChI

InChI=1S/C24H28N2O5S/c27-23(8-9-24(28)29)26-15-12-20-17-21(6-7-22(20)26)32(30,31)25-13-10-19(11-14-25)16-18-4-2-1-3-5-18/h1-7,17,19H,8-16H2,(H,28,29)