2-methylsulfinyl-4-[1-oxidanyl-2-(6-phenylazanylhexylamino)ethyl]phenol

Systemtic Name: 2-methylsulfinyl-4-[1-oxidanyl-2-(6-phenylazanylhexylamino)ethyl]phenol Openeye Name: 4-[2-(6-anilinohexylamino)-1-hydroxy-ethyl]-2-methylsulfinyl-phenol CAS Name: 4-[2-(6-anilinohexylamino)-1-hydroxyethyl]-2-methylsulfinylphenol IUPAC Name: 4-[2-(6-anilinohexylamino)-1-hydroxyethyl]-2-methylsulfinylphenol Traditional Name: 4-[2-(6-anilinohexylamino)-1-hydroxy-ethyl]-2-methylsulfinyl-phenol Formula: C21H30N2O3S MolecularWeight: 390.5395

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)C1=C(C=CC(=C1)C(CNCCCCCCNC2=CC=CC=C2)O)O

Isomeric SMILES

CS(=O)C1=C(C=CC(=C1)C(CNCCCCCCNC2=CC=CC=C2)O)O

InChI

InChI=1S/C21H30N2O3S/c1-27(26)21-15-17(11-12-19(21)24)20(25)16-22-13-7-2-3-8-14-23-18-9-5-4-6-10-18/h4-6,9-12,15,20,22-25H,2-3,7-8,13-14,16H2,1H3