2-(4-chloranylphenoxy)-2-methyl-1-[4-(phenylmethyl)sulfonylpiperazin-1-yl]propan-1-one

Systemtic Name: 2-(4-chloranylphenoxy)-2-methyl-1-[4-(phenylmethyl)sulfonylpiperazin-1-yl]propan-1-one Openeye Name: 1-(4-benzylsulfonylpiperazin-1-yl)-2-(4-chlorophenoxy)-2-methyl-propan-1-one CAS Name: 2-(4-chlorophenoxy)-2-methyl-1-[4-(phenylmethyl)sulfonyl-1-piperazinyl]-1-propanone IUPAC Name: 1-(4-benzylsulfonylpiperazin-1-yl)-2-(4-chlorophenoxy)-2-methylpropan-1-one Traditional Name: 1-(4-benzylsulfonylpiperazino)-2-(4-chlorophenoxy)-2-methyl-propan-1-one Formula: C21H25ClN2O4S MolecularWeight: 436.9522

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)N1CCN(CC1)S(=O)(=O)CC2=CC=CC=C2)OC3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C)(C(=O)N1CCN(CC1)S(=O)(=O)CC2=CC=CC=C2)OC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H25ClN2O4S/c1-21(2,28-19-10-8-18(22)9-11-19)20(25)23-12-14-24(15-13-23)29(26,27)16-17-6-4-3-5-7-17/h3-11H,12-16H2,1-2H3