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

Systemtic Name: 1-(2-tert-butylphenoxy)-3-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]propan-2-ol Openeye Name: 1-(2-tert-butylphenoxy)-3-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]propan-2-ol CAS Name: 1-(2-tert-butylphenoxy)-3-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-2-propanol IUPAC Name: 1-(2-tert-butylphenoxy)-3-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]propan-2-ol Traditional Name: 1-(2-tert-butylphenoxy)-3-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]propan-2-ol Formula: C24H33FN2O4S MolecularWeight: 464.593223

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=CC=C1OCC(CN2CCCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F)O

Isomeric SMILES

CC(C)(C)C1=CC=CC=C1OCC(CN2CCCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F)O

InChI

InChI=1S/C24H33FN2O4S/c1-24(2,3)22-7-4-5-8-23(22)31-18-20(28)17-26-13-6-14-27(16-15-26)32(29,30)21-11-9-19(25)10-12-21/h4-5,7-12,20,28H,6,13-18H2,1-3H3