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

Systemtic Name: 4-[3-[4-(4-methoxyphenyl)butan-2-ylamino]-2-oxidanyl-propoxy]-2-methylsulfonyl-phenol Openeye Name: 4-[2-hydroxy-3-[[3-(4-methoxyphenyl)-1-methyl-propyl]amino]propoxy]-2-methylsulfonyl-phenol CAS Name: 4-[2-hydroxy-3-[4-(4-methoxyphenyl)butan-2-ylamino]propoxy]-2-methylsulfonylphenol IUPAC Name: 4-[2-hydroxy-3-[4-(4-methoxyphenyl)butan-2-ylamino]propoxy]-2-methylsulfonylphenol Traditional Name: 4-[2-hydroxy-3-[[3-(4-methoxyphenyl)-1-methyl-propyl]amino]propoxy]-2-mesyl-phenol Formula: C21H29NO6S MolecularWeight: 423.52306

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29NO6S/c1-15(4-5-16-6-8-18(27-2)9-7-16)22-13-17(23)14-28-19-10-11-20(24)21(12-19)29(3,25)26/h6-12,15,17,22-24H,4-5,13-14H2,1-3H3