2-methylsulfinyl-4-[1-oxidanyl-2-[4-(quinolin-3-ylmethylsulfanyl)butylamino]ethyl]phenol

Systemtic Name: 2-methylsulfinyl-4-[1-oxidanyl-2-[4-(quinolin-3-ylmethylsulfanyl)butylamino]ethyl]phenol Openeye Name: 4-[1-hydroxy-2-[4-(3-quinolylmethylsulfanyl)butylamino]ethyl]-2-methylsulfinyl-phenol CAS Name: 4-[1-hydroxy-2-[4-(3-quinolinylmethylthio)butylamino]ethyl]-2-methylsulfinylphenol IUPAC Name: 4-[1-hydroxy-2-[4-(quinolin-3-ylmethylsulfanyl)butylamino]ethyl]-2-methylsulfinylphenol Traditional Name: 4-[1-hydroxy-2-[4-(3-quinolylmethylthio)butylamino]ethyl]-2-methylsulfinyl-phenol Formula: C23H28N2O3S2 MolecularWeight: 444.61002

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)C1=C(C=CC(=C1)C(CNCCCCSCC2=CC3=CC=CC=C3N=C2)O)O

Isomeric SMILES

CS(=O)C1=C(C=CC(=C1)C(CNCCCCSCC2=CC3=CC=CC=C3N=C2)O)O

InChI

InChI=1S/C23H28N2O3S2/c1-30(28)23-13-19(8-9-21(23)26)22(27)15-24-10-4-5-11-29-16-17-12-18-6-2-3-7-20(18)25-14-17/h2-3,6-9,12-14,22,24,26-27H,4-5,10-11,15-16H2,1H3