2-(2-ethylphenoxy)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]propan-1-one

Systemtic Name: 2-(2-ethylphenoxy)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]propan-1-one Openeye Name: 2-(2-ethylphenoxy)-1-[4-(p-tolylsulfonyl)piperazin-1-yl]propan-1-one CAS Name: 2-(2-ethylphenoxy)-1-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-1-propanone IUPAC Name: 2-(2-ethylphenoxy)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]propan-1-one Traditional Name: 2-(2-ethylphenoxy)-1-(4-tosylpiperazino)propan-1-one Formula: C22H28N2O4S MolecularWeight: 416.53372

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1OC(C)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCC1=CC=CC=C1OC(C)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C22H28N2O4S/c1-4-19-7-5-6-8-21(19)28-18(3)22(25)23-13-15-24(16-14-23)29(26,27)20-11-9-17(2)10-12-20/h5-12,18H,4,13-16H2,1-3H3