2-(4-chloranyl-3-methyl-phenoxy)-1-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]ethanone

Systemtic Name: 2-(4-chloranyl-3-methyl-phenoxy)-1-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 2-(4-chloro-3-methyl-phenoxy)-1-[4-(4-isopropylphenyl)sulfonylpiperazin-1-yl]ethanone CAS Name: 2-(4-chloro-3-methylphenoxy)-1-[4-(4-propan-2-ylphenyl)sulfonyl-1-piperazinyl]ethanone IUPAC Name: 2-(4-chloro-3-methylphenoxy)-1-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]ethanone Traditional Name: 2-(4-chloro-3-methyl-phenoxy)-1-(4-p-cumenylsulfonylpiperazino)ethanone Formula: C22H27ClN2O4S MolecularWeight: 450.97878

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27ClN2O4S/c1-16(2)18-4-7-20(8-5-18)30(27,28)25-12-10-24(11-13-25)22(26)15-29-19-6-9-21(23)17(3)14-19/h4-9,14,16H,10-13,15H2,1-3H3