3-(4-ethylphenyl)-1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one

Systemtic Name: 3-(4-ethylphenyl)-1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one Openeye Name: 3-(4-ethylphenyl)-1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one CAS Name: 3-(4-ethylphenyl)-1-[4-(4-methoxyphenyl)sulfonyl-1-piperazinyl]-1-propanone IUPAC Name: 3-(4-ethylphenyl)-1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one Traditional Name: 3-(4-ethylphenyl)-1-[4-(4-methoxyphenyl)sulfonylpiperazino]propan-1-one Formula: C22H28N2O4S MolecularWeight: 416.53372

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CCC1=CC=C(C=C1)CCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C22H28N2O4S/c1-3-18-4-6-19(7-5-18)8-13-22(25)23-14-16-24(17-15-23)29(26,27)21-11-9-20(28-2)10-12-21/h4-7,9-12H,3,8,13-17H2,1-2H3