1-[4-(3-chloranyl-4-fluoranyl-phenyl)sulfonylpiperazin-1-yl]-3-(2,6-dimethylphenoxy)propan-2-ol

Systemtic Name: 1-[4-(3-chloranyl-4-fluoranyl-phenyl)sulfonylpiperazin-1-yl]-3-(2,6-dimethylphenoxy)propan-2-ol Openeye Name: 1-[4-(3-chloro-4-fluoro-phenyl)sulfonylpiperazin-1-yl]-3-(2,6-dimethylphenoxy)propan-2-ol CAS Name: 1-[4-(3-chloro-4-fluorophenyl)sulfonyl-1-piperazinyl]-3-(2,6-dimethylphenoxy)-2-propanol IUPAC Name: 1-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-3-(2,6-dimethylphenoxy)propan-2-ol Traditional Name: 1-[4-(3-chloro-4-fluoro-phenyl)sulfonylpiperazino]-3-(2,6-dimethylphenoxy)propan-2-ol Formula: C21H26ClFN2O4S MolecularWeight: 456.958543

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)OCC(CN2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)F)Cl)O

Isomeric SMILES

CC1=C(C(=CC=C1)C)OCC(CN2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)F)Cl)O

InChI

InChI=1S/C21H26ClFN2O4S/c1-15-4-3-5-16(2)21(15)29-14-17(26)13-24-8-10-25(11-9-24)30(27,28)18-6-7-20(23)19(22)12-18/h3-7,12,17,26H,8-11,13-14H2,1-2H3