1-[[(E)-5-azanyl-2-methylidene-5-oxidanylidene-pent-3-enoyl]amino]propane-1-sulfonic acid

Systemtic Name: 1-[[(E)-5-azanyl-2-methylidene-5-oxidanylidene-pent-3-enoyl]amino]propane-1-sulfonic acid Openeye Name: 1-[[(E)-5-amino-2-methylene-5-oxo-pent-3-enoyl]amino]propane-1-sulfonic acid CAS Name: 1-[[(E)-5-amino-2-methylene-1,5-dioxopent-3-enyl]amino]-1-propanesulfonic acid IUPAC Name: 1-[[(E)-5-amino-2-methylidene-5-oxopent-3-enoyl]amino]propane-1-sulfonic acid Traditional Name: 1-[[(E)-5-amino-5-keto-2-methylene-pent-3-enoyl]amino]propane-1-sulfonic acid Formula: C9H14N2O5S MolecularWeight: 262.28286

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Descriptors Computed from Structure

Canonical SMILES:

CCC(NC(=O)C(=C)C=CC(=O)N)S(=O)(=O)O

Isomeric SMILES

CCC(NC(=O)C(=C)/C=C/C(=O)N)S(=O)(=O)O

InChI

InChI=1S/C9H14N2O5S/c1-3-8(17(14,15)16)11-9(13)6(2)4-5-7(10)12/h4-5,8H,2-3H2,1H3,(H2,10,12)(H,11,13)(H,14,15,16)/b5-4+