2-(furan-2-ylmethylamino)-4-prop-2-enylsulfanyl-5-sulfamoyl-benzenesulfonic acid

Systemtic Name: 2-(furan-2-ylmethylamino)-4-prop-2-enylsulfanyl-5-sulfamoyl-benzenesulfonic acid Openeye Name: 4-allylsulfanyl-2-(2-furylmethylamino)-5-sulfamoyl-benzenesulfonic acid CAS Name: 2-(2-furanylmethylamino)-4-(prop-2-enylthio)-5-sulfamoylbenzenesulfonic acid IUPAC Name: 2-(furan-2-ylmethylamino)-4-prop-2-enylsulfanyl-5-sulfamoylbenzenesulfonic acid Traditional Name: 4-(allylthio)-2-(2-furfurylamino)-5-sulfamoyl-besylic acid Formula: C14H16N2O6S3 MolecularWeight: 404.48164

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Descriptors Computed from Structure

Canonical SMILES:

C=CCSC1=C(C=C(C(=C1)NCC2=CC=CO2)S(=O)(=O)O)S(=O)(=O)N

Isomeric SMILES

C=CCSC1=C(C=C(C(=C1)NCC2=CC=CO2)S(=O)(=O)O)S(=O)(=O)N

InChI

InChI=1S/C14H16N2O6S3/c1-2-6-23-12-7-11(16-9-10-4-3-5-22-10)13(25(19,20)21)8-14(12)24(15,17)18/h2-5,7-8,16H,1,6,9H2,(H2,15,17,18)(H,19,20,21)