1-(2-fluoranylphenoxy)-3-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]propan-2-ol

Systemtic Name: 1-(2-fluoranylphenoxy)-3-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]propan-2-ol Openeye Name: 1-(2-fluorophenoxy)-3-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]propan-2-ol CAS Name: 1-(2-fluorophenoxy)-3-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-2-propanol IUPAC Name: 1-(2-fluorophenoxy)-3-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]propan-2-ol Traditional Name: 1-(2-fluorophenoxy)-3-(4-tosyl-1,4-diazepan-1-yl)propan-2-ol Formula: C21H27FN2O4S MolecularWeight: 422.513483

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)CC(COC3=CC=CC=C3F)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)CC(COC3=CC=CC=C3F)O

InChI

InChI=1S/C21H27FN2O4S/c1-17-7-9-19(10-8-17)29(26,27)24-12-4-11-23(13-14-24)15-18(25)16-28-21-6-3-2-5-20(21)22/h2-3,5-10,18,25H,4,11-16H2,1H3