4-(5-chloranyl-2-oxidanyl-phenyl)-3-[2-oxidanyl-4-(4-oxidanylpiperidin-1-yl)butyl]sulfanyl-6-(trifluoromethyl)-1H-quinolin-2-one

Systemtic Name: 4-(5-chloranyl-2-oxidanyl-phenyl)-3-[2-oxidanyl-4-(4-oxidanylpiperidin-1-yl)butyl]sulfanyl-6-(trifluoromethyl)-1H-quinolin-2-one Openeye Name: 4-(5-chloro-2-hydroxy-phenyl)-3-[2-hydroxy-4-(4-hydroxy-1-piperidyl)butyl]sulfanyl-6-(trifluoromethyl)-1H-quinolin-2-one CAS Name: 4-(5-chloro-2-hydroxyphenyl)-3-[[2-hydroxy-4-(4-hydroxy-1-piperidinyl)butyl]thio]-6-(trifluoromethyl)-1H-quinolin-2-one IUPAC Name: 4-(5-chloro-2-hydroxyphenyl)-3-[2-hydroxy-4-(4-hydroxypiperidin-1-yl)butyl]sulfanyl-6-(trifluoromethyl)-1H-quinolin-2-one Traditional Name: 4-(5-chloro-2-hydroxy-phenyl)-3-[[2-hydroxy-4-(4-hydroxypiperidino)butyl]thio]-6-(trifluoromethyl)carbostyril Formula: C25H26ClF3N2O4S MolecularWeight: 542.99815

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1O)CCC(CSC2=C(C3=C(C=CC(=C3)C(F)(F)F)NC2=O)C4=C(C=CC(=C4)Cl)O)O

Isomeric SMILES

C1CN(CCC1O)CCC(CSC2=C(C3=C(C=CC(=C3)C(F)(F)F)NC2=O)C4=C(C=CC(=C4)Cl)O)O

InChI

InChI=1S/C25H26ClF3N2O4S/c26-15-2-4-21(34)19(12-15)22-18-11-14(25(27,28)29)1-3-20(18)30-24(35)23(22)36-13-17(33)7-10-31-8-5-16(32)6-9-31/h1-4,11-12,16-17,32-34H,5-10,13H2,(H,30,35)