2-(6-methoxy-1-benzofuran-3-yl)-1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]ethanone

Systemtic Name: 2-(6-methoxy-1-benzofuran-3-yl)-1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]ethanone Openeye Name: 2-(6-methoxybenzofuran-3-yl)-1-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]ethanone CAS Name: 2-(6-methoxy-3-benzofuranyl)-1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]ethanone IUPAC Name: 2-(6-methoxy-1-benzofuran-3-yl)-1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]ethanone Traditional Name: 2-(6-methoxybenzofuran-3-yl)-1-(4-tosyl-1,4-diazepan-1-yl)ethanone 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)CC3=COC4=C3C=CC(=C4)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)CC3=COC4=C3C=CC(=C4)OC

InChI

InChI=1S/C23H26N2O5S/c1-17-4-7-20(8-5-17)31(27,28)25-11-3-10-24(12-13-25)23(26)14-18-16-30-22-15-19(29-2)6-9-21(18)22/h4-9,15-16H,3,10-14H2,1-2H3