4-[2-[5-[methyl-(4-methylphenyl)amino]pentylamino]-1-oxidanyl-ethyl]-2-methylsulfinyl-phenol

Systemtic Name: 4-[2-[5-[methyl-(4-methylphenyl)amino]pentylamino]-1-oxidanyl-ethyl]-2-methylsulfinyl-phenol Openeye Name: 4-[2-[5-(N,4-dimethylanilino)pentylamino]-1-hydroxy-ethyl]-2-methylsulfinyl-phenol CAS Name: 4-[2-[5-(N,4-dimethylanilino)pentylamino]-1-hydroxyethyl]-2-methylsulfinylphenol IUPAC Name: 4-[2-[5-(N,4-dimethylanilino)pentylamino]-1-hydroxyethyl]-2-methylsulfinylphenol Traditional Name: 4-[2-[5-(N,4-dimethylanilino)pentylamino]-1-hydroxy-ethyl]-2-methylsulfinyl-phenol Formula: C22H32N2O3S MolecularWeight: 404.56608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N(C)CCCCCNCC(C2=CC(=C(C=C2)O)S(=O)C)O

Isomeric SMILES

CC1=CC=C(C=C1)N(C)CCCCCNCC(C2=CC(=C(C=C2)O)S(=O)C)O

InChI

InChI=1S/C22H32N2O3S/c1-17-7-10-19(11-8-17)24(2)14-6-4-5-13-23-16-21(26)18-9-12-20(25)22(15-18)28(3)27/h7-12,15,21,23,25-26H,4-6,13-14,16H2,1-3H3