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

Systemtic Name: 1-benzofuran-2-yl-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone Openeye Name: benzofuran-2-yl-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]methanone CAS Name: 2-benzofuranyl-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone IUPAC Name: 1-benzofuran-2-yl-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone Traditional Name: benzofuran-2-yl-(4-tosyl-1,4-diazepan-1-yl)methanone Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)C3=CC4=CC=CC=C4O3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)C3=CC4=CC=CC=C4O3

InChI

InChI=1S/C21H22N2O4S/c1-16-7-9-18(10-8-16)28(25,26)23-12-4-11-22(13-14-23)21(24)20-15-17-5-2-3-6-19(17)27-20/h2-3,5-10,15H,4,11-14H2,1H3