2-(furan-2-ylmethylamino)-4-(4-methoxyphenyl)sulfanyl-5-sulfamoyl-benzenesulfonic acid

Systemtic Name: 2-(furan-2-ylmethylamino)-4-(4-methoxyphenyl)sulfanyl-5-sulfamoyl-benzenesulfonic acid Openeye Name: 2-(2-furylmethylamino)-4-(4-methoxyphenyl)sulfanyl-5-sulfamoyl-benzenesulfonic acid CAS Name: 2-(2-furanylmethylamino)-4-[(4-methoxyphenyl)thio]-5-sulfamoylbenzenesulfonic acid IUPAC Name: 2-(furan-2-ylmethylamino)-4-(4-methoxyphenyl)sulfanyl-5-sulfamoylbenzenesulfonic acid Traditional Name: 2-(2-furfurylamino)-4-[(4-methoxyphenyl)thio]-5-sulfamoyl-besylic acid Formula: C18H18N2O7S3 MolecularWeight: 470.53972

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)SC2=C(C=C(C(=C2)NCC3=CC=CO3)S(=O)(=O)O)S(=O)(=O)N

Isomeric SMILES

COC1=CC=C(C=C1)SC2=C(C=C(C(=C2)NCC3=CC=CO3)S(=O)(=O)O)S(=O)(=O)N

InChI

InChI=1S/C18H18N2O7S3/c1-26-12-4-6-14(7-5-12)28-16-9-15(20-11-13-3-2-8-27-13)17(30(23,24)25)10-18(16)29(19,21)22/h2-10,20H,11H2,1H3,(H2,19,21,22)(H,23,24,25)