(7-ethoxy-1-benzofuran-2-yl)-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]methanone

Systemtic Name: (7-ethoxy-1-benzofuran-2-yl)-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]methanone Openeye Name: (7-ethoxybenzofuran-2-yl)-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]methanone CAS Name: (7-ethoxy-2-benzofuranyl)-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]methanone IUPAC Name: (7-ethoxy-1-benzofuran-2-yl)-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]methanone Traditional Name: (7-ethoxybenzofuran-2-yl)-[4-(4-mesylbenzyl)-1,4-diazepan-1-yl]methanone Formula: C24H28N2O5S MolecularWeight: 456.55452

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC2=C1OC(=C2)C(=O)N3CCCN(CC3)CC4=CC=C(C=C4)S(=O)(=O)C

Isomeric SMILES

CCOC1=CC=CC2=C1OC(=C2)C(=O)N3CCCN(CC3)CC4=CC=C(C=C4)S(=O)(=O)C

InChI

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