(E)-3-[1-(4-methoxyphenyl)sulfonyl-2-(oxidanylcarbamoyl)azepan-3-yl]prop-2-enoic acid

Systemtic Name: (E)-3-[1-(4-methoxyphenyl)sulfonyl-2-(oxidanylcarbamoyl)azepan-3-yl]prop-2-enoic acid Openeye Name: (E)-3-[2-(hydroxycarbamoyl)-1-(4-methoxyphenyl)sulfonyl-azepan-3-yl]prop-2-enoic acid CAS Name: (E)-3-[2-[(hydroxyamino)-oxomethyl]-1-(4-methoxyphenyl)sulfonyl-3-azepanyl]-2-propenoic acid IUPAC Name: (E)-3-[2-(hydroxycarbamoyl)-1-(4-methoxyphenyl)sulfonylazepan-3-yl]prop-2-enoic acid Traditional Name: (E)-3-[2-(hydroxycarbamoyl)-1-(4-methoxyphenyl)sulfonyl-azepan-3-yl]acrylic acid Formula: C17H22N2O7S MolecularWeight: 398.43078

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N2O7S/c1-26-13-6-8-14(9-7-13)27(24,25)19-11-3-2-4-12(5-10-15(20)21)16(19)17(22)18-23/h5-10,12,16,23H,2-4,11H2,1H3,(H,18,22)(H,20,21)/b10-5+