1-[(5-pyridin-3-yl-1-benzofuran-2-yl)methyl]-4-thiophen-2-ylsulfonyl-piperazine

Systemtic Name: 1-[(5-pyridin-3-yl-1-benzofuran-2-yl)methyl]-4-thiophen-2-ylsulfonyl-piperazine Openeye Name: 1-[[5-(3-pyridyl)benzofuran-2-yl]methyl]-4-(2-thienylsulfonyl)piperazine CAS Name: 1-[[5-(3-pyridinyl)-2-benzofuranyl]methyl]-4-thiophen-2-ylsulfonylpiperazine IUPAC Name: 1-[(5-pyridin-3-yl-1-benzofuran-2-yl)methyl]-4-thiophen-2-ylsulfonylpiperazine Traditional Name: 1-[[5-(3-pyridyl)benzofuran-2-yl]methyl]-4-(2-thienylsulfonyl)piperazine Formula: C22H21N3O3S2 MolecularWeight: 439.55044

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(O2)C=CC(=C3)C4=CN=CC=C4)S(=O)(=O)C5=CC=CS5

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(O2)C=CC(=C3)C4=CN=CC=C4)S(=O)(=O)C5=CC=CS5

InChI

InChI=1S/C22H21N3O3S2/c26-30(27,22-4-2-12-29-22)25-10-8-24(9-11-25)16-20-14-19-13-17(5-6-21(19)28-20)18-3-1-7-23-15-18/h1-7,12-15H,8-11,16H2