1-(4-chloranylphenoxy)-3-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]propan-2-ol

Systemtic Name: 1-(4-chloranylphenoxy)-3-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]propan-2-ol Openeye Name: 1-(4-chlorophenoxy)-3-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]propan-2-ol CAS Name: 1-(4-chlorophenoxy)-3-[4-(2,5-dimethylphenyl)sulfonyl-1-piperazinyl]-2-propanol IUPAC Name: 1-(4-chlorophenoxy)-3-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]propan-2-ol Traditional Name: 1-(4-chlorophenoxy)-3-[4-(2,5-dimethylphenyl)sulfonylpiperazino]propan-2-ol Formula: C21H27ClN2O4S MolecularWeight: 438.96808

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)CC(COC3=CC=C(C=C3)Cl)O

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)CC(COC3=CC=C(C=C3)Cl)O

InChI

InChI=1S/C21H27ClN2O4S/c1-16-3-4-17(2)21(13-16)29(26,27)24-11-9-23(10-12-24)14-19(25)15-28-20-7-5-18(22)6-8-20/h3-8,13,19,25H,9-12,14-15H2,1-2H3