1-[(5-chloranyl-1-benzofuran-2-yl)methyl]-4-(3-methylsulfonylphenyl)sulfonyl-piperazine

Systemtic Name: 1-[(5-chloranyl-1-benzofuran-2-yl)methyl]-4-(3-methylsulfonylphenyl)sulfonyl-piperazine Openeye Name: 1-[(5-chlorobenzofuran-2-yl)methyl]-4-(3-methylsulfonylphenyl)sulfonyl-piperazine CAS Name: 1-[(5-chloro-2-benzofuranyl)methyl]-4-(3-methylsulfonylphenyl)sulfonylpiperazine IUPAC Name: 1-[(5-chloro-1-benzofuran-2-yl)methyl]-4-(3-methylsulfonylphenyl)sulfonylpiperazine Traditional Name: 1-[(5-chlorobenzofuran-2-yl)methyl]-4-(3-mesylphenyl)sulfonyl-piperazine Formula: C20H21ClN2O5S2 MolecularWeight: 468.97414

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCN(CC2)CC3=CC4=C(O3)C=CC(=C4)Cl

Isomeric SMILES

CS(=O)(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCN(CC2)CC3=CC4=C(O3)C=CC(=C4)Cl

InChI

InChI=1S/C20H21ClN2O5S2/c1-29(24,25)18-3-2-4-19(13-18)30(26,27)23-9-7-22(8-10-23)14-17-12-15-11-16(21)5-6-20(15)28-17/h2-6,11-13H,7-10,14H2,1H3