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

Systemtic Name: 2-(furan-2-ylmethylamino)-4-prop-2-enylsulfonyl-5-sulfamoyl-benzenesulfonic acid Openeye Name: 4-allylsulfonyl-2-(2-furylmethylamino)-5-sulfamoyl-benzenesulfonic acid CAS Name: 2-(2-furanylmethylamino)-4-prop-2-enylsulfonyl-5-sulfamoylbenzenesulfonic acid IUPAC Name: 2-(furan-2-ylmethylamino)-4-prop-2-enylsulfonyl-5-sulfamoylbenzenesulfonic acid Traditional Name: 4-allylsulfonyl-2-(2-furfurylamino)-5-sulfamoyl-besylic acid Formula: C14H16N2O8S3 MolecularWeight: 436.48044

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16N2O8S3/c1-2-6-25(17,18)13-7-11(16-9-10-4-3-5-24-10)12(27(21,22)23)8-14(13)26(15,19)20/h2-5,7-8,16H,1,6,9H2,(H2,15,19,20)(H,21,22,23)