4-(2-ethoxyphenoxy)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]butan-1-one

Systemtic Name: 4-(2-ethoxyphenoxy)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]butan-1-one Openeye Name: 4-(2-ethoxyphenoxy)-1-[4-(p-tolylsulfonyl)piperazin-1-yl]butan-1-one CAS Name: 4-(2-ethoxyphenoxy)-1-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-1-butanone IUPAC Name: 4-(2-ethoxyphenoxy)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]butan-1-one Traditional Name: 4-(2-ethoxyphenoxy)-1-(4-tosylpiperazino)butan-1-one Formula: C23H30N2O5S MolecularWeight: 446.5597

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1OCCCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCOC1=CC=CC=C1OCCCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C23H30N2O5S/c1-3-29-21-7-4-5-8-22(21)30-18-6-9-23(26)24-14-16-25(17-15-24)31(27,28)20-12-10-19(2)11-13-20/h4-5,7-8,10-13H,3,6,9,14-18H2,1-2H3