1-(4-tert-butylphenoxy)-3-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]propan-2-ol

Systemtic Name: 1-(4-tert-butylphenoxy)-3-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]propan-2-ol Openeye Name: 1-(4-tert-butylphenoxy)-3-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]propan-2-ol CAS Name: 1-(4-tert-butylphenoxy)-3-[4-(2-fluorophenyl)sulfonyl-1-piperazinyl]-2-propanol IUPAC Name: 1-(4-tert-butylphenoxy)-3-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]propan-2-ol Traditional Name: 1-(4-tert-butylphenoxy)-3-[4-(2-fluorophenyl)sulfonylpiperazino]propan-2-ol Formula: C23H31FN2O4S MolecularWeight: 450.566643

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OCC(CN2CCN(CC2)S(=O)(=O)C3=CC=CC=C3F)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OCC(CN2CCN(CC2)S(=O)(=O)C3=CC=CC=C3F)O

InChI

InChI=1S/C23H31FN2O4S/c1-23(2,3)18-8-10-20(11-9-18)30-17-19(27)16-25-12-14-26(15-13-25)31(28,29)22-7-5-4-6-21(22)24/h4-11,19,27H,12-17H2,1-3H3