[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-(2-methyl-5-methylsulfonyl-phenyl)methanone

Systemtic Name: [4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-(2-methyl-5-methylsulfonyl-phenyl)methanone Openeye Name: [4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-1-yl]-(2-methyl-5-methylsulfonyl-phenyl)methanone CAS Name: [4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazinyl]-(2-methyl-5-methylsulfonylphenyl)methanone IUPAC Name: [4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-(2-methyl-5-methylsulfonylphenyl)methanone Traditional Name: [4-(coumaran-5-ylmethyl)piperazino]-(5-mesyl-2-methyl-phenyl)methanone Formula: C22H26N2O4S MolecularWeight: 414.51784

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCC4

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCC4

InChI

InChI=1S/C22H26N2O4S/c1-16-3-5-19(29(2,26)27)14-20(16)22(25)24-10-8-23(9-11-24)15-17-4-6-21-18(13-17)7-12-28-21/h3-6,13-14H,7-12,15H2,1-2H3