1-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-3-(2,4-dimethylphenoxy)propan-2-ol

Systemtic Name: 1-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-3-(2,4-dimethylphenoxy)propan-2-ol Openeye Name: 1-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-3-(2,4-dimethylphenoxy)propan-2-ol CAS Name: 1-[4-(3-bromophenyl)sulfonyl-1-piperazinyl]-3-(2,4-dimethylphenoxy)-2-propanol IUPAC Name: 1-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-3-(2,4-dimethylphenoxy)propan-2-ol Traditional Name: 1-[4-(3-bromophenyl)sulfonylpiperazino]-3-(2,4-dimethylphenoxy)propan-2-ol Formula: C21H27BrN2O4S MolecularWeight: 483.41908

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27BrN2O4S/c1-16-6-7-21(17(2)12-16)28-15-19(25)14-23-8-10-24(11-9-23)29(26,27)20-5-3-4-18(22)13-20/h3-7,12-13,19,25H,8-11,14-15H2,1-2H3