1-[2-(3,4-dimethylphenoxy)ethylamino]-3-(3-methyl-4-methylsulfonyl-phenoxy)propan-2-ol

Systemtic Name: 1-[2-(3,4-dimethylphenoxy)ethylamino]-3-(3-methyl-4-methylsulfonyl-phenoxy)propan-2-ol Openeye Name: 1-[2-(3,4-dimethylphenoxy)ethylamino]-3-(3-methyl-4-methylsulfonyl-phenoxy)propan-2-ol CAS Name: 1-[2-(3,4-dimethylphenoxy)ethylamino]-3-(3-methyl-4-methylsulfonylphenoxy)-2-propanol IUPAC Name: 1-[2-(3,4-dimethylphenoxy)ethylamino]-3-(3-methyl-4-methylsulfonylphenoxy)propan-2-ol Traditional Name: 1-[2-(3,4-dimethylphenoxy)ethylamino]-3-(4-mesyl-3-methyl-phenoxy)propan-2-ol Formula: C21H29NO5S MolecularWeight: 407.52366

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)OCCNCC(COC2=CC(=C(C=C2)S(=O)(=O)C)C)O)C

Isomeric SMILES

CC1=C(C=C(C=C1)OCCNCC(COC2=CC(=C(C=C2)S(=O)(=O)C)C)O)C

InChI

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