2-(furan-2-ylmethylamino)-4-phenylsulfanyl-5-sulfamoyl-benzenesulfonate

Systemtic Name: 2-(furan-2-ylmethylamino)-4-phenylsulfanyl-5-sulfamoyl-benzenesulfonate Openeye Name: 2-(2-furylmethylamino)-4-phenylsulfanyl-5-sulfamoyl-benzenesulfonate CAS Name: 2-(2-furanylmethylamino)-4-(phenylthio)-5-sulfamoylbenzenesulfonate IUPAC Name: 2-(furan-2-ylmethylamino)-4-phenylsulfanyl-5-sulfamoylbenzenesulfonate Traditional Name: 2-(2-furfurylamino)-4-(phenylthio)-5-sulfamoyl-besylate Formula: C17H15N2O6S3- MolecularWeight: 439.5058

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=C(C=C(C(=C2)NCC3=CC=CO3)S(=O)(=O)[O-])S(=O)(=O)N

Isomeric SMILES

C1=CC=C(C=C1)SC2=C(C=C(C(=C2)NCC3=CC=CO3)S(=O)(=O)[O-])S(=O)(=O)N

InChI

InChI=1S/C17H16N2O6S3/c18-27(20,21)17-10-16(28(22,23)24)14(19-11-12-5-4-8-25-12)9-15(17)26-13-6-2-1-3-7-13/h1-10,19H,11H2,(H2,18,20,21)(H,22,23,24)/p-1