methyl 2-[1-(4-methoxyphenyl)sulfonyl-2-(oxidanylcarbamoyl)azepan-3-yl]ethanoate

Systemtic Name: methyl 2-[1-(4-methoxyphenyl)sulfonyl-2-(oxidanylcarbamoyl)azepan-3-yl]ethanoate Openeye Name: methyl 2-[2-(hydroxycarbamoyl)-1-(4-methoxyphenyl)sulfonyl-azepan-3-yl]acetate CAS Name: 2-[2-[(hydroxyamino)-oxomethyl]-1-(4-methoxyphenyl)sulfonyl-3-azepanyl]acetic acid methyl ester IUPAC Name: methyl 2-[2-(hydroxycarbamoyl)-1-(4-methoxyphenyl)sulfonylazepan-3-yl]acetate Traditional Name: 2-[2-(hydroxycarbamoyl)-1-(4-methoxyphenyl)sulfonyl-azepan-3-yl]acetic acid methyl ester Formula: C17H24N2O7S MolecularWeight: 400.44666

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CCCCC(C2C(=O)NO)CC(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CCCCC(C2C(=O)NO)CC(=O)OC

InChI

InChI=1S/C17H24N2O7S/c1-25-13-6-8-14(9-7-13)27(23,24)19-10-4-3-5-12(11-15(20)26-2)16(19)17(21)18-22/h6-9,12,16,22H,3-5,10-11H2,1-2H3,(H,18,21)