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

Systemtic Name: 1-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-4-thiophen-2-yl-butan-1-one Openeye Name: 1-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-4-(2-thienyl)butan-1-one CAS Name: 1-[4-(3,4-dimethoxyphenyl)sulfonyl-1-piperazinyl]-4-thiophen-2-yl-1-butanone IUPAC Name: 1-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-4-thiophen-2-ylbutan-1-one Traditional Name: 1-[4-(3,4-dimethoxyphenyl)sulfonylpiperazino]-4-(2-thienyl)butan-1-one Formula: C20H26N2O5S2 MolecularWeight: 438.56084

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCCC3=CC=CS3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCCC3=CC=CS3)OC

InChI

InChI=1S/C20H26N2O5S2/c1-26-18-9-8-17(15-19(18)27-2)29(24,25)22-12-10-21(11-13-22)20(23)7-3-5-16-6-4-14-28-16/h4,6,8-9,14-15H,3,5,7,10-13H2,1-2H3