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

Systemtic Name: 1-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-4-thiophen-2-yl-butan-1-one Openeye Name: 1-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-4-(2-thienyl)butan-1-one CAS Name: 1-[4-(2,4-dimethylphenyl)sulfonyl-1-piperazinyl]-4-thiophen-2-yl-1-butanone IUPAC Name: 1-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-4-thiophen-2-ylbutan-1-one Traditional Name: 1-[4-(2,4-dimethylphenyl)sulfonylpiperazino]-4-(2-thienyl)butan-1-one Formula: C20H26N2O3S2 MolecularWeight: 406.56204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCCC3=CC=CS3)C

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCCC3=CC=CS3)C

InChI

InChI=1S/C20H26N2O3S2/c1-16-8-9-19(17(2)15-16)27(24,25)22-12-10-21(11-13-22)20(23)7-3-5-18-6-4-14-26-18/h4,6,8-9,14-15H,3,5,7,10-13H2,1-2H3