3-[4-[(E)-N-oxidanyl-C-(phenylsulfonylaminomethyl)carbonimidoyl]phenyl]propanoic acid

Systemtic Name: 3-[4-[(E)-N-oxidanyl-C-(phenylsulfonylaminomethyl)carbonimidoyl]phenyl]propanoic acid Openeye Name: 3-[4-[(E)-C-(benzenesulfonamidomethyl)-N-hydroxy-carbonimidoyl]phenyl]propanoic acid CAS Name: 3-[4-[(1E)-2-(benzenesulfonamido)-1-hydroxyiminoethyl]phenyl]propanoic acid IUPAC Name: 3-[4-[(E)-C-(benzenesulfonamidomethyl)-N-hydroxycarbonimidoyl]phenyl]propanoic acid Traditional Name: 3-[4-[2-(benzenesulfonamido)acetohydroximoyl]phenyl]propionic acid Formula: C17H18N2O5S MolecularWeight: 362.40022

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)NCC(=NO)C2=CC=C(C=C2)CCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)NC/C(=N/O)/C2=CC=C(C=C2)CCC(=O)O

InChI

InChI=1S/C17H18N2O5S/c20-17(21)11-8-13-6-9-14(10-7-13)16(19-22)12-18-25(23,24)15-4-2-1-3-5-15/h1-7,9-10,18,22H,8,11-12H2,(H,20,21)/b19-16-