1-(3-methyl-4-methylsulfonyl-phenoxy)-3-[[2-methyl-1-(4-phenylmethoxyphenyl)propan-2-yl]amino]propan-2-ol hydrochloride

Systemtic Name: 1-(3-methyl-4-methylsulfonyl-phenoxy)-3-[[2-methyl-1-(4-phenylmethoxyphenyl)propan-2-yl]amino]propan-2-ol hydrochloride Openeye Name: 1-[[2-(4-benzyloxyphenyl)-1,1-dimethyl-ethyl]amino]-3-(3-methyl-4-methylsulfonyl-phenoxy)propan-2-ol hydrochloride CAS Name: 1-(3-methyl-4-methylsulfonylphenoxy)-3-[[2-methyl-1-(4-phenylmethoxyphenyl)propan-2-yl]amino]-2-propanol hydrochloride IUPAC Name: 1-(3-methyl-4-methylsulfonylphenoxy)-3-[[2-methyl-1-(4-phenylmethoxyphenyl)propan-2-yl]amino]propan-2-ol hydrochloride Traditional Name: 1-[[2-(4-benzoxyphenyl)-1,1-dimethyl-ethyl]amino]-3-(4-mesyl-3-methyl-phenoxy)propan-2-ol hydrochloride Formula: C28H36ClNO5S MolecularWeight: 534.10714

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCC(CNC(C)(C)CC2=CC=C(C=C2)OCC3=CC=CC=C3)O)S(=O)(=O)C.Cl

Isomeric SMILES

CC1=C(C=CC(=C1)OCC(CNC(C)(C)CC2=CC=C(C=C2)OCC3=CC=CC=C3)O)S(=O)(=O)C.Cl

InChI

InChI=1S/C28H35NO5S.ClH/c1-21-16-26(14-15-27(21)35(4,31)32)34-20-24(30)18-29-28(2,3)17-22-10-12-25(13-11-22)33-19-23-8-6-5-7-9-23;/h5-16,24,29-30H,17-20H2,1-4H3;1H