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

Systemtic Name: (7-fluoranyl-3-methyl-1-benzofuran-2-yl)-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone Openeye Name: (7-fluoro-3-methyl-benzofuran-2-yl)-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]methanone CAS Name: (7-fluoro-3-methyl-2-benzofuranyl)-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone IUPAC Name: (7-fluoro-3-methyl-1-benzofuran-2-yl)-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone Traditional Name: (7-fluoro-3-methyl-benzofuran-2-yl)-(4-tosyl-1,4-diazepan-1-yl)methanone Formula: C22H23FN2O4S MolecularWeight: 430.492423

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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=C(O3)C(=CC=C4)F)C

Isomeric SMILES

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

InChI

InChI=1S/C22H23FN2O4S/c1-15-7-9-17(10-8-15)30(27,28)25-12-4-11-24(13-14-25)22(26)20-16(2)18-5-3-6-19(23)21(18)29-20/h3,5-10H,4,11-14H2,1-2H3