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

Systemtic Name: [3-(methoxymethyl)-1-benzofuran-2-yl]-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone Openeye Name: [3-(methoxymethyl)benzofuran-2-yl]-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]methanone CAS Name: [3-(methoxymethyl)-2-benzofuranyl]-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone IUPAC Name: [3-(methoxymethyl)-1-benzofuran-2-yl]-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone Traditional Name: [3-(methoxymethyl)benzofuran-2-yl]-(4-tosyl-1,4-diazepan-1-yl)methanone Formula: C23H26N2O5S MolecularWeight: 442.52794

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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)COC

Isomeric SMILES

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

InChI

InChI=1S/C23H26N2O5S/c1-17-8-10-18(11-9-17)31(27,28)25-13-5-12-24(14-15-25)23(26)22-20(16-29-2)19-6-3-4-7-21(19)30-22/h3-4,6-11H,5,12-16H2,1-2H3