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

Systemtic Name: 4-phenylsulfanyl-5-sulfamoyl-2-(thiophen-2-ylmethylamino)benzenesulfonate Openeye Name: 4-phenylsulfanyl-5-sulfamoyl-2-(2-thienylmethylamino)benzenesulfonate CAS Name: 4-(phenylthio)-5-sulfamoyl-2-(thiophen-2-ylmethylamino)benzenesulfonate IUPAC Name: 4-phenylsulfanyl-5-sulfamoyl-2-(thiophen-2-ylmethylamino)benzenesulfonate Traditional Name: 4-(phenylthio)-5-sulfamoyl-2-(2-thenylamino)besylate Formula: C17H15N2O5S4- MolecularWeight: 455.5714

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=C(C=C(C(=C2)NCC3=CC=CS3)S(=O)(=O)[O-])S(=O)(=O)N

Isomeric SMILES

C1=CC=C(C=C1)SC2=C(C=C(C(=C2)NCC3=CC=CS3)S(=O)(=O)[O-])S(=O)(=O)N

InChI

InChI=1S/C17H16N2O5S4/c18-27(20,21)17-10-16(28(22,23)24)14(19-11-13-7-4-8-25-13)9-15(17)26-12-5-2-1-3-6-12/h1-10,19H,11H2,(H2,18,20,21)(H,22,23,24)/p-1