1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-4-(3-methylphenoxy)butan-1-one

Systemtic Name: 1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-4-(3-methylphenoxy)butan-1-one Openeye Name: 1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-4-(3-methylphenoxy)butan-1-one CAS Name: 1-[4-(4-ethoxyphenyl)sulfonyl-1-piperazinyl]-4-(3-methylphenoxy)-1-butanone IUPAC Name: 1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-4-(3-methylphenoxy)butan-1-one Traditional Name: 4-(3-methylphenoxy)-1-(4-p-phenetylsulfonylpiperazino)butan-1-one Formula: C23H30N2O5S MolecularWeight: 446.5597

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCCOC3=CC=CC(=C3)C

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCCOC3=CC=CC(=C3)C

InChI

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