1-(1-benzofuran-2-ylmethyl)-4-[4-(2-methylbutan-2-yl)phenyl]sulfonyl-piperazine

Systemtic Name: 1-(1-benzofuran-2-ylmethyl)-4-[4-(2-methylbutan-2-yl)phenyl]sulfonyl-piperazine Openeye Name: 1-(benzofuran-2-ylmethyl)-4-[4-(1,1-dimethylpropyl)phenyl]sulfonyl-piperazine CAS Name: 1-(2-benzofuranylmethyl)-4-[4-(2-methylbutan-2-yl)phenyl]sulfonylpiperazine IUPAC Name: 1-(1-benzofuran-2-ylmethyl)-4-[4-(2-methylbutan-2-yl)phenyl]sulfonylpiperazine Traditional Name: 1-(4-tert-amylphenyl)sulfonyl-4-(benzofuran-2-ylmethyl)piperazine Formula: C24H30N2O3S MolecularWeight: 426.5716

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC4=CC=CC=C4O3

Isomeric SMILES

CCC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC4=CC=CC=C4O3

InChI

InChI=1S/C24H30N2O3S/c1-4-24(2,3)20-9-11-22(12-10-20)30(27,28)26-15-13-25(14-16-26)18-21-17-19-7-5-6-8-23(19)29-21/h5-12,17H,4,13-16,18H2,1-3H3