5-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]carbonyl-2-methyl-benzenesulfonamide

Systemtic Name: 5-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]carbonyl-2-methyl-benzenesulfonamide Openeye Name: 5-[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazine-1-carbonyl]-2-methyl-benzenesulfonamide CAS Name: 5-[[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazinyl]-oxomethyl]-2-methylbenzenesulfonamide IUPAC Name: 5-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazine-1-carbonyl]-2-methylbenzenesulfonamide Traditional Name: 5-[4-(coumaran-5-ylmethyl)piperazine-1-carbonyl]-2-methyl-benzenesulfonamide Formula: C21H25N3O4S MolecularWeight: 415.5059

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O4S/c1-15-2-4-18(13-20(15)29(22,26)27)21(25)24-9-7-23(8-10-24)14-16-3-5-19-17(12-16)6-11-28-19/h2-5,12-13H,6-11,14H2,1H3,(H2,22,26,27)