1-[3,4-bis(oxidanyl)phenyl]-2-[4-(4-methoxyphenyl)sulfonyl-1,4-diazepan-1-yl]ethanone

Systemtic Name: 1-[3,4-bis(oxidanyl)phenyl]-2-[4-(4-methoxyphenyl)sulfonyl-1,4-diazepan-1-yl]ethanone Openeye Name: 1-(3,4-dihydroxyphenyl)-2-[4-(4-methoxyphenyl)sulfonyl-1,4-diazepan-1-yl]ethanone CAS Name: 1-(3,4-dihydroxyphenyl)-2-[4-(4-methoxyphenyl)sulfonyl-1,4-diazepan-1-yl]ethanone IUPAC Name: 1-(3,4-dihydroxyphenyl)-2-[4-(4-methoxyphenyl)sulfonyl-1,4-diazepan-1-yl]ethanone Traditional Name: 1-(3,4-dihydroxyphenyl)-2-[4-(4-methoxyphenyl)sulfonyl-1,4-diazepan-1-yl]ethanone Formula: C20H24N2O6S MolecularWeight: 420.47936

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)CC(=O)C3=CC(=C(C=C3)O)O

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)CC(=O)C3=CC(=C(C=C3)O)O

InChI

InChI=1S/C20H24N2O6S/c1-28-16-4-6-17(7-5-16)29(26,27)22-10-2-9-21(11-12-22)14-20(25)15-3-8-18(23)19(24)13-15/h3-8,13,23-24H,2,9-12,14H2,1H3