1-(2,6-dimethylphenoxy)-3-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]propan-2-ol

Systemtic Name: 1-(2,6-dimethylphenoxy)-3-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]propan-2-ol Openeye Name: 1-(2,6-dimethylphenoxy)-3-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]propan-2-ol CAS Name: 1-(2,6-dimethylphenoxy)-3-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-2-propanol IUPAC Name: 1-(2,6-dimethylphenoxy)-3-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]propan-2-ol Traditional Name: 1-(2,6-dimethylphenoxy)-3-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]propan-2-ol Formula: C22H29FN2O4S MolecularWeight: 436.540063

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)OCC(CN2CCCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F)O

Isomeric SMILES

CC1=C(C(=CC=C1)C)OCC(CN2CCCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F)O

InChI

InChI=1S/C22H29FN2O4S/c1-17-5-3-6-18(2)22(17)29-16-20(26)15-24-11-4-12-25(14-13-24)30(27,28)21-9-7-19(23)8-10-21/h3,5-10,20,26H,4,11-16H2,1-2H3