1-[4-(3,4-diethoxyphenyl)sulfonylpiperazin-1-yl]-4-thiophen-2-yl-butan-1-one

Systemtic Name: 1-[4-(3,4-diethoxyphenyl)sulfonylpiperazin-1-yl]-4-thiophen-2-yl-butan-1-one Openeye Name: 1-[4-(3,4-diethoxyphenyl)sulfonylpiperazin-1-yl]-4-(2-thienyl)butan-1-one CAS Name: 1-[4-(3,4-diethoxyphenyl)sulfonyl-1-piperazinyl]-4-thiophen-2-yl-1-butanone IUPAC Name: 1-[4-(3,4-diethoxyphenyl)sulfonylpiperazin-1-yl]-4-thiophen-2-ylbutan-1-one Traditional Name: 1-[4-(3,4-diethoxyphenyl)sulfonylpiperazino]-4-(2-thienyl)butan-1-one Formula: C22H30N2O5S2 MolecularWeight: 466.614

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCCC3=CC=CS3)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCCC3=CC=CS3)OCC

InChI

InChI=1S/C22H30N2O5S2/c1-3-28-20-11-10-19(17-21(20)29-4-2)31(26,27)24-14-12-23(13-15-24)22(25)9-5-7-18-8-6-16-30-18/h6,8,10-11,16-17H,3-5,7,9,12-15H2,1-2H3