4-[2-methyl-2-[[3-(3-methyl-4-methylsulfonyl-phenoxy)-2-oxidanyl-propyl]amino]propyl]phenol hydrochloride

Systemtic Name: 4-[2-methyl-2-[[3-(3-methyl-4-methylsulfonyl-phenoxy)-2-oxidanyl-propyl]amino]propyl]phenol hydrochloride Openeye Name: 4-[2-[[2-hydroxy-3-(3-methyl-4-methylsulfonyl-phenoxy)propyl]amino]-2-methyl-propyl]phenol hydrochloride CAS Name: 4-[2-[[2-hydroxy-3-(3-methyl-4-methylsulfonylphenoxy)propyl]amino]-2-methylpropyl]phenol hydrochloride IUPAC Name: 4-[2-[[2-hydroxy-3-(3-methyl-4-methylsulfonylphenoxy)propyl]amino]-2-methylpropyl]phenol hydrochloride Traditional Name: 4-[2-[[2-hydroxy-3-(4-mesyl-3-methyl-phenoxy)propyl]amino]-2-methyl-propyl]phenol hydrochloride Formula: C21H30ClNO5S MolecularWeight: 443.9846

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCC(CNC(C)(C)CC2=CC=C(C=C2)O)O)S(=O)(=O)C.Cl

Isomeric SMILES

CC1=C(C=CC(=C1)OCC(CNC(C)(C)CC2=CC=C(C=C2)O)O)S(=O)(=O)C.Cl

InChI

InChI=1S/C21H29NO5S.ClH/c1-15-11-19(9-10-20(15)28(4,25)26)27-14-18(24)13-22-21(2,3)12-16-5-7-17(23)8-6-16;/h5-11,18,22-24H,12-14H2,1-4H3;1H