1-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-4-thiophen-2-yl-butan-1-one

Systemtic Name: 1-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-4-thiophen-2-yl-butan-1-one Openeye Name: 1-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-4-(2-thienyl)butan-1-one CAS Name: 1-[4-(4-tert-butylphenyl)sulfonyl-1-piperazinyl]-4-thiophen-2-yl-1-butanone IUPAC Name: 1-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-4-thiophen-2-ylbutan-1-one Traditional Name: 1-[4-(4-tert-butylphenyl)sulfonylpiperazino]-4-(2-thienyl)butan-1-one Formula: C22H30N2O3S2 MolecularWeight: 434.6152

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N2O3S2/c1-22(2,3)18-9-11-20(12-10-18)29(26,27)24-15-13-23(14-16-24)21(25)8-4-6-19-7-5-17-28-19/h5,7,9-12,17H,4,6,8,13-16H2,1-3H3