1-[3-[[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]methyl]-4-ethoxy-phenyl]ethanone

Systemtic Name: 1-[3-[[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]methyl]-4-ethoxy-phenyl]ethanone Openeye Name: 1-[4-ethoxy-3-[[4-(4-sec-butylphenyl)sulfonylpiperazin-1-yl]methyl]phenyl]ethanone CAS Name: 1-[3-[[4-(4-butan-2-ylphenyl)sulfonyl-1-piperazinyl]methyl]-4-ethoxyphenyl]ethanone IUPAC Name: 1-[3-[[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]methyl]-4-ethoxyphenyl]ethanone Traditional Name: 1-[4-ethoxy-3-[[4-(4-sec-butylphenyl)sulfonylpiperazino]methyl]phenyl]ethanone Formula: C25H34N2O4S MolecularWeight: 458.61346

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=C(C=CC(=C3)C(=O)C)OCC

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=C(C=CC(=C3)C(=O)C)OCC

InChI

InChI=1S/C25H34N2O4S/c1-5-19(3)21-7-10-24(11-8-21)32(29,30)27-15-13-26(14-16-27)18-23-17-22(20(4)28)9-12-25(23)31-6-2/h7-12,17,19H,5-6,13-16,18H2,1-4H3