(3-methyl-1-benzofuran-2-yl)-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone

Systemtic Name: (3-methyl-1-benzofuran-2-yl)-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone Openeye Name: (3-methylbenzofuran-2-yl)-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]methanone CAS Name: (3-methyl-2-benzofuranyl)-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone IUPAC Name: (3-methyl-1-benzofuran-2-yl)-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone Traditional Name: (3-methylbenzofuran-2-yl)-(4-tosyl-1,4-diazepan-1-yl)methanone Formula: C22H24N2O4S MolecularWeight: 412.50196

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)C3=C(C4=CC=CC=C4O3)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)C3=C(C4=CC=CC=C4O3)C

InChI

InChI=1S/C22H24N2O4S/c1-16-8-10-18(11-9-16)29(26,27)24-13-5-12-23(14-15-24)22(25)21-17(2)19-6-3-4-7-20(19)28-21/h3-4,6-11H,5,12-15H2,1-2H3