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

Systemtic Name: 2-(4-chloranylphenoxy)-1-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]propan-1-one Openeye Name: 2-(4-chlorophenoxy)-1-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]propan-1-one CAS Name: 2-(4-chlorophenoxy)-1-[4-(3,4-dimethylphenyl)sulfonyl-1-piperazinyl]-1-propanone IUPAC Name: 2-(4-chlorophenoxy)-1-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]propan-1-one Traditional Name: 2-(4-chlorophenoxy)-1-[4-(3,4-dimethylphenyl)sulfonylpiperazino]propan-1-one Formula: C21H25ClN2O4S MolecularWeight: 436.9522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C(C)OC3=CC=C(C=C3)Cl)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C(C)OC3=CC=C(C=C3)Cl)C

InChI

InChI=1S/C21H25ClN2O4S/c1-15-4-9-20(14-16(15)2)29(26,27)24-12-10-23(11-13-24)21(25)17(3)28-19-7-5-18(22)6-8-19/h4-9,14,17H,10-13H2,1-3H3