4-[3-[4-(4-methoxyphenyl)butan-2-ylamino]-2-oxidanyl-propoxy]-2-methylsulfinyl-phenol hydrochloride

Systemtic Name: 4-[3-[4-(4-methoxyphenyl)butan-2-ylamino]-2-oxidanyl-propoxy]-2-methylsulfinyl-phenol hydrochloride Openeye Name: 4-[2-hydroxy-3-[[3-(4-methoxyphenyl)-1-methyl-propyl]amino]propoxy]-2-methylsulfinyl-phenol hydrochloride CAS Name: 4-[2-hydroxy-3-[4-(4-methoxyphenyl)butan-2-ylamino]propoxy]-2-methylsulfinylphenol hydrochloride IUPAC Name: 4-[2-hydroxy-3-[4-(4-methoxyphenyl)butan-2-ylamino]propoxy]-2-methylsulfinylphenol hydrochloride Traditional Name: 4-[2-hydroxy-3-[[3-(4-methoxyphenyl)-1-methyl-propyl]amino]propoxy]-2-methylsulfinyl-phenol hydrochloride Formula: C21H30ClNO5S MolecularWeight: 443.9846

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=C(C=C1)OC)NCC(COC2=CC(=C(C=C2)O)S(=O)C)O.Cl

Isomeric SMILES

CC(CCC1=CC=C(C=C1)OC)NCC(COC2=CC(=C(C=C2)O)S(=O)C)O.Cl

InChI

InChI=1S/C21H29NO5S.ClH/c1-15(4-5-16-6-8-18(26-2)9-7-16)22-13-17(23)14-27-19-10-11-20(24)21(12-19)28(3)25;/h6-12,15,17,22-24H,4-5,13-14H2,1-3H3;1H