3-(1-benzofuran-2-yl)-1-(4-methoxyphenyl)sulfonyl-N-oxidanyl-2,3,4,7-tetrahydroazepine-2-carboxamide

Systemtic Name: 3-(1-benzofuran-2-yl)-1-(4-methoxyphenyl)sulfonyl-N-oxidanyl-2,3,4,7-tetrahydroazepine-2-carboxamide Openeye Name: 3-(benzofuran-2-yl)-1-(4-methoxyphenyl)sulfonyl-2,3,4,7-tetrahydroazepine-2-carbohydroxamic acid CAS Name: 3-(2-benzofuranyl)-N-hydroxy-1-(4-methoxyphenyl)sulfonyl-2,3,4,7-tetrahydroazepine-2-carboxamide IUPAC Name: 3-(1-benzofuran-2-yl)-N-hydroxy-1-(4-methoxyphenyl)sulfonyl-2,3,4,7-tetrahydroazepine-2-carboxamide Traditional Name: 3-(benzofuran-2-yl)-1-(4-methoxyphenyl)sulfonyl-2,3,4,7-tetrahydroazepine-2-carbohydroxamic acid Formula: C22H22N2O6S MolecularWeight: 442.48488

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CC=CCC(C2C(=O)NO)C3=CC4=CC=CC=C4O3

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CC=CCC(C2C(=O)NO)C3=CC4=CC=CC=C4O3

InChI

InChI=1S/C22H22N2O6S/c1-29-16-9-11-17(12-10-16)31(27,28)24-13-5-4-7-18(21(24)22(25)23-26)20-14-15-6-2-3-8-19(15)30-20/h2-6,8-12,14,18,21,26H,7,13H2,1H3,(H,23,25)