3-[[(E)-but-2-enyl]amino]-4-phenoxy-4-sulfamoyl-cyclohexa-2,5-diene-1-carboxylic acid

Systemtic Name: 3-[[(E)-but-2-enyl]amino]-4-phenoxy-4-sulfamoyl-cyclohexa-2,5-diene-1-carboxylic acid Openeye Name: 3-[[(E)-but-2-enyl]amino]-4-phenoxy-4-sulfamoyl-cyclohexa-2,5-diene-1-carboxylic acid CAS Name: 3-[[(E)-but-2-enyl]amino]-4-phenoxy-4-sulfamoyl-1-cyclohexa-2,5-dienecarboxylic acid IUPAC Name: 3-[[(E)-but-2-enyl]amino]-4-phenoxy-4-sulfamoylcyclohexa-2,5-diene-1-carboxylic acid Traditional Name: 3-[[(E)-but-2-enyl]amino]-4-phenoxy-4-sulfamoyl-cyclohexa-2,5-diene-1-carboxylic acid Formula: C17H20N2O5S MolecularWeight: 364.4161

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Descriptors Computed from Structure

Canonical SMILES:

CC=CCNC1=CC(C=CC1(OC2=CC=CC=C2)S(=O)(=O)N)C(=O)O

Isomeric SMILES

C/C=C/CNC1=CC(C=CC1(OC2=CC=CC=C2)S(=O)(=O)N)C(=O)O

InChI

InChI=1S/C17H20N2O5S/c1-2-3-11-19-15-12-13(16(20)21)9-10-17(15,25(18,22)23)24-14-7-5-4-6-8-14/h2-10,12-13,19H,11H2,1H3,(H,20,21)(H2,18,22,23)/b3-2+