1-[4-(4-methoxyphenyl)butan-2-ylamino]-3-(3-methylsulfinyl-4-phenylmethoxy-phenoxy)propan-2-ol

Systemtic Name: 1-[4-(4-methoxyphenyl)butan-2-ylamino]-3-(3-methylsulfinyl-4-phenylmethoxy-phenoxy)propan-2-ol Openeye Name: 1-(4-benzyloxy-3-methylsulfinyl-phenoxy)-3-[[3-(4-methoxyphenyl)-1-methyl-propyl]amino]propan-2-ol CAS Name: 1-[4-(4-methoxyphenyl)butan-2-ylamino]-3-(3-methylsulfinyl-4-phenylmethoxyphenoxy)-2-propanol IUPAC Name: 1-[4-(4-methoxyphenyl)butan-2-ylamino]-3-(3-methylsulfinyl-4-phenylmethoxyphenoxy)propan-2-ol Traditional Name: 1-(4-benzoxy-3-methylsulfinyl-phenoxy)-3-[[3-(4-methoxyphenyl)-1-methyl-propyl]amino]propan-2-ol Formula: C28H35NO5S MolecularWeight: 497.6462

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=C(C=C1)OC)NCC(COC2=CC(=C(C=C2)OCC3=CC=CC=C3)S(=O)C)O

Isomeric SMILES

CC(CCC1=CC=C(C=C1)OC)NCC(COC2=CC(=C(C=C2)OCC3=CC=CC=C3)S(=O)C)O

InChI

InChI=1S/C28H35NO5S/c1-21(9-10-22-11-13-25(32-2)14-12-22)29-18-24(30)20-33-26-15-16-27(28(17-26)35(3)31)34-19-23-7-5-4-6-8-23/h4-8,11-17,21,24,29-30H,9-10,18-20H2,1-3H3