4-(2-ethoxyphenoxy)-1-[4-(phenylsulfonyl)piperazin-1-yl]butan-1-one

Systemtic Name: 4-(2-ethoxyphenoxy)-1-[4-(phenylsulfonyl)piperazin-1-yl]butan-1-one Openeye Name: 1-[4-(benzenesulfonyl)piperazin-1-yl]-4-(2-ethoxyphenoxy)butan-1-one CAS Name: 1-[4-(benzenesulfonyl)-1-piperazinyl]-4-(2-ethoxyphenoxy)-1-butanone IUPAC Name: 1-[4-(benzenesulfonyl)piperazin-1-yl]-4-(2-ethoxyphenoxy)butan-1-one Traditional Name: 1-(4-besylpiperazino)-4-(2-ethoxyphenoxy)butan-1-one Formula: C22H28N2O5S MolecularWeight: 432.53312

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O5S/c1-2-28-20-11-6-7-12-21(20)29-18-8-13-22(25)23-14-16-24(17-15-23)30(26,27)19-9-4-3-5-10-19/h3-7,9-12H,2,8,13-18H2,1H3