4-[cyclohexyl(methyl)amino]-2-(furan-2-ylmethylamino)-5-sulfamoyl-benzenesulfonic acid

Systemtic Name: 4-[cyclohexyl(methyl)amino]-2-(furan-2-ylmethylamino)-5-sulfamoyl-benzenesulfonic acid Openeye Name: 4-[cyclohexyl(methyl)amino]-2-(2-furylmethylamino)-5-sulfamoyl-benzenesulfonic acid CAS Name: 4-[cyclohexyl(methyl)amino]-2-(2-furanylmethylamino)-5-sulfamoylbenzenesulfonic acid IUPAC Name: 4-[cyclohexyl(methyl)amino]-2-(furan-2-ylmethylamino)-5-sulfamoylbenzenesulfonic acid Traditional Name: 4-[cyclohexyl(methyl)amino]-2-(2-furfurylamino)-5-sulfamoyl-besylic acid Formula: C18H25N3O6S2 MolecularWeight: 443.5376

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCCCC1)C2=C(C=C(C(=C2)NCC3=CC=CO3)S(=O)(=O)O)S(=O)(=O)N

Isomeric SMILES

CN(C1CCCCC1)C2=C(C=C(C(=C2)NCC3=CC=CO3)S(=O)(=O)O)S(=O)(=O)N

InChI

InChI=1S/C18H25N3O6S2/c1-21(13-6-3-2-4-7-13)16-10-15(20-12-14-8-5-9-27-14)17(29(24,25)26)11-18(16)28(19,22)23/h5,8-11,13,20H,2-4,6-7,12H2,1H3,(H2,19,22,23)(H,24,25,26)