[4-[(5-chloranyl-1-benzofuran-2-yl)methyl]piperazin-1-yl]-(4-methylsulfonylphenyl)methanone

Systemtic Name: [4-[(5-chloranyl-1-benzofuran-2-yl)methyl]piperazin-1-yl]-(4-methylsulfonylphenyl)methanone Openeye Name: [4-[(5-chlorobenzofuran-2-yl)methyl]piperazin-1-yl]-(4-methylsulfonylphenyl)methanone CAS Name: [4-[(5-chloro-2-benzofuranyl)methyl]-1-piperazinyl]-(4-methylsulfonylphenyl)methanone IUPAC Name: [4-[(5-chloro-1-benzofuran-2-yl)methyl]piperazin-1-yl]-(4-methylsulfonylphenyl)methanone Traditional Name: [4-[(5-chlorobenzofuran-2-yl)methyl]piperazino]-(4-mesylphenyl)methanone Formula: C21H21ClN2O4S MolecularWeight: 432.92044

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21ClN2O4S/c1-29(26,27)19-5-2-15(3-6-19)21(25)24-10-8-23(9-11-24)14-18-13-16-12-17(22)4-7-20(16)28-18/h2-7,12-13H,8-11,14H2,1H3