5-[3-(6-cyanoindol-1-yl)-2-oxidanylidene-pyrrolidin-1-yl]-2-(3-fluorophenyl)benzenesulfonic acid

Systemtic Name: 5-[3-(6-cyanoindol-1-yl)-2-oxidanylidene-pyrrolidin-1-yl]-2-(3-fluorophenyl)benzenesulfonic acid Openeye Name: 5-[3-(6-cyanoindol-1-yl)-2-oxo-pyrrolidin-1-yl]-2-(3-fluorophenyl)benzenesulfonic acid CAS Name: 5-[3-(6-cyano-1-indolyl)-2-oxo-1-pyrrolidinyl]-2-(3-fluorophenyl)benzenesulfonic acid IUPAC Name: 5-[3-(6-cyanoindol-1-yl)-2-oxopyrrolidin-1-yl]-2-(3-fluorophenyl)benzenesulfonic acid Traditional Name: 5-[3-(6-cyanoindol-1-yl)-2-keto-pyrrolidino]-2-(3-fluorophenyl)besylic acid Formula: C25H18FN3O4S MolecularWeight: 475.491523

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)C1N2C=CC3=C2C=C(C=C3)C#N)C4=CC(=C(C=C4)C5=CC(=CC=C5)F)S(=O)(=O)O

Isomeric SMILES

C1CN(C(=O)C1N2C=CC3=C2C=C(C=C3)C#N)C4=CC(=C(C=C4)C5=CC(=CC=C5)F)S(=O)(=O)O

InChI

InChI=1S/C25H18FN3O4S/c26-19-3-1-2-18(13-19)21-7-6-20(14-24(21)34(31,32)33)28-11-9-22(25(28)30)29-10-8-17-5-4-16(15-27)12-23(17)29/h1-8,10,12-14,22H,9,11H2,(H,31,32,33)