4-[[(E)-3-azanylprop-2-enoyl]amino]benzenesulfonic acid

Systemtic Name: 4-[[(E)-3-azanylprop-2-enoyl]amino]benzenesulfonic acid Openeye Name: 4-[[(E)-3-aminoprop-2-enoyl]amino]benzenesulfonic acid CAS Name: 4-[[(E)-3-amino-1-oxoprop-2-enyl]amino]benzenesulfonic acid IUPAC Name: 4-[[(E)-3-aminoprop-2-enoyl]amino]benzenesulfonic acid Traditional Name: 4-[[(E)-3-aminoacryloyl]amino]besylic acid Formula: C9H10N2O4S MolecularWeight: 242.2517

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)C=CN)S(=O)(=O)O

Isomeric SMILES

C1=CC(=CC=C1NC(=O)/C=C/N)S(=O)(=O)O

InChI

InChI=1S/C9H10N2O4S/c10-6-5-9(12)11-7-1-3-8(4-2-7)16(13,14)15/h1-6H,10H2,(H,11,12)(H,13,14,15)/b6-5+