6-[4-(3,5-ditert-butyl-4-oxidanyl-phenyl)sulfinylbutoxy]-1H-quinolin-2-one

Systemtic Name: 6-[4-(3,5-ditert-butyl-4-oxidanyl-phenyl)sulfinylbutoxy]-1H-quinolin-2-one Openeye Name: 6-[4-(3,5-ditert-butyl-4-hydroxy-phenyl)sulfinylbutoxy]-1H-quinolin-2-one CAS Name: 6-[4-(3,5-ditert-butyl-4-hydroxyphenyl)sulfinylbutoxy]-1H-quinolin-2-one IUPAC Name: 6-[4-(3,5-ditert-butyl-4-hydroxyphenyl)sulfinylbutoxy]-1H-quinolin-2-one Traditional Name: 6-[4-(3,5-ditert-butyl-4-hydroxy-phenyl)sulfinylbutoxy]carbostyril Formula: C27H35NO4S MolecularWeight: 469.6361

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)S(=O)CCCCOC2=CC3=C(C=C2)NC(=O)C=C3

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)S(=O)CCCCOC2=CC3=C(C=C2)NC(=O)C=C3

InChI

InChI=1S/C27H35NO4S/c1-26(2,3)21-16-20(17-22(25(21)30)27(4,5)6)33(31)14-8-7-13-32-19-10-11-23-18(15-19)9-12-24(29)28-23/h9-12,15-17,30H,7-8,13-14H2,1-6H3,(H,28,29)