2-methylsulfinyl-4-[1-oxidanyl-2-(5-phenylazanylpentylamino)ethyl]phenol

Systemtic Name: 2-methylsulfinyl-4-[1-oxidanyl-2-(5-phenylazanylpentylamino)ethyl]phenol Openeye Name: 4-[2-(5-anilinopentylamino)-1-hydroxy-ethyl]-2-methylsulfinyl-phenol CAS Name: 4-[2-(5-anilinopentylamino)-1-hydroxyethyl]-2-methylsulfinylphenol IUPAC Name: 4-[2-(5-anilinopentylamino)-1-hydroxyethyl]-2-methylsulfinylphenol Traditional Name: 4-[2-(5-anilinopentylamino)-1-hydroxy-ethyl]-2-methylsulfinyl-phenol Formula: C20H28N2O3S MolecularWeight: 376.51292

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)C1=C(C=CC(=C1)C(CNCCCCCNC2=CC=CC=C2)O)O

Isomeric SMILES

CS(=O)C1=C(C=CC(=C1)C(CNCCCCCNC2=CC=CC=C2)O)O

InChI

InChI=1S/C20H28N2O3S/c1-26(25)20-14-16(10-11-18(20)23)19(24)15-21-12-6-3-7-13-22-17-8-4-2-5-9-17/h2,4-5,8-11,14,19,21-24H,3,6-7,12-13,15H2,1H3