4-[2-[(3-methylphenyl)amino]-1-oxidanyl-2-(pentylamino)ethyl]-2-methylsulfinyl-phenol

Systemtic Name: 4-[2-[(3-methylphenyl)amino]-1-oxidanyl-2-(pentylamino)ethyl]-2-methylsulfinyl-phenol Openeye Name: 4-[1-hydroxy-2-(3-methylanilino)-2-(pentylamino)ethyl]-2-methylsulfinyl-phenol CAS Name: 4-[1-hydroxy-2-(3-methylanilino)-2-(pentylamino)ethyl]-2-methylsulfinylphenol IUPAC Name: 4-[1-hydroxy-2-(3-methylanilino)-2-(pentylamino)ethyl]-2-methylsulfinylphenol Traditional Name: 4-[2-(amylamino)-1-hydroxy-2-(m-toluidino)ethyl]-2-methylsulfinyl-phenol Formula: C21H30N2O3S MolecularWeight: 390.5395

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(C(C1=CC(=C(C=C1)O)S(=O)C)O)NC2=CC=CC(=C2)C

Isomeric SMILES

CCCCCNC(C(C1=CC(=C(C=C1)O)S(=O)C)O)NC2=CC=CC(=C2)C

InChI

InChI=1S/C21H30N2O3S/c1-4-5-6-12-22-21(23-17-9-7-8-15(2)13-17)20(25)16-10-11-18(24)19(14-16)27(3)26/h7-11,13-14,20-25H,4-6,12H2,1-3H3