4-chloranyl-2-[furan-2-ylmethyl-[(E)-3-phenylprop-2-enoyl]amino]-5-sulfamoyl-benzoic acid

Systemtic Name: 4-chloranyl-2-[furan-2-ylmethyl-[(E)-3-phenylprop-2-enoyl]amino]-5-sulfamoyl-benzoic acid Openeye Name: 4-chloro-2-[2-furylmethyl-[(E)-3-phenylprop-2-enoyl]amino]-5-sulfamoyl-benzoic acid CAS Name: 4-chloro-2-[2-furanylmethyl-[(E)-1-oxo-3-phenylprop-2-enyl]amino]-5-sulfamoylbenzoic acid IUPAC Name: 4-chloro-2-[furan-2-ylmethyl-[(E)-3-phenylprop-2-enoyl]amino]-5-sulfamoylbenzoic acid Traditional Name: 4-chloro-2-[2-furfuryl-[(E)-3-phenylacryloyl]amino]-5-sulfamoyl-benzoic acid Formula: C21H17ClN2O6S MolecularWeight: 460.88748

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C=CC(=O)N(CC2=CC=CO2)C3=CC(=C(C=C3C(=O)O)S(=O)(=O)N)Cl

Isomeric SMILES

C1=CC=C(C=C1)/C=C/C(=O)N(CC2=CC=CO2)C3=CC(=C(C=C3C(=O)O)S(=O)(=O)N)Cl

InChI

InChI=1S/C21H17ClN2O6S/c22-17-12-18(16(21(26)27)11-19(17)31(23,28)29)24(13-15-7-4-10-30-15)20(25)9-8-14-5-2-1-3-6-14/h1-12H,13H2,(H,26,27)(H2,23,28,29)/b9-8+