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

Systemtic Name: (5-bromanyl-1-benzofuran-2-yl)-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone Openeye Name: (5-bromobenzofuran-2-yl)-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]methanone CAS Name: (5-bromo-2-benzofuranyl)-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone IUPAC Name: (5-bromo-1-benzofuran-2-yl)-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone Traditional Name: (5-bromobenzofuran-2-yl)-(4-tosyl-1,4-diazepan-1-yl)methanone Formula: C21H21BrN2O4S MolecularWeight: 477.37144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)C3=CC4=C(O3)C=CC(=C4)Br

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)C3=CC4=C(O3)C=CC(=C4)Br

InChI

InChI=1S/C21H21BrN2O4S/c1-15-3-6-18(7-4-15)29(26,27)24-10-2-9-23(11-12-24)21(25)20-14-16-13-17(22)5-8-19(16)28-20/h3-8,13-14H,2,9-12H2,1H3