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

Systemtic Name: [3-(ethoxymethyl)-1-benzofuran-2-yl]-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone Openeye Name: [3-(ethoxymethyl)benzofuran-2-yl]-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]methanone CAS Name: [3-(ethoxymethyl)-2-benzofuranyl]-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone IUPAC Name: [3-(ethoxymethyl)-1-benzofuran-2-yl]-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone Traditional Name: [3-(ethoxymethyl)benzofuran-2-yl]-(4-tosyl-1,4-diazepan-1-yl)methanone Formula: C24H28N2O5S MolecularWeight: 456.55452

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Descriptors Computed from Structure

Canonical SMILES:

CCOCC1=C(OC2=CC=CC=C21)C(=O)N3CCCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CCOCC1=C(OC2=CC=CC=C21)C(=O)N3CCCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C24H28N2O5S/c1-3-30-17-21-20-7-4-5-8-22(20)31-23(21)24(27)25-13-6-14-26(16-15-25)32(28,29)19-11-9-18(2)10-12-19/h4-5,7-12H,3,6,13-17H2,1-2H3