4-butyl-2-(furan-2-ylmethylamino)-5-sulfamoyl-benzoic acid

Systemtic Name: 4-butyl-2-(furan-2-ylmethylamino)-5-sulfamoyl-benzoic acid Openeye Name: 4-butyl-2-(2-furylmethylamino)-5-sulfamoyl-benzoic acid CAS Name: 4-butyl-2-(2-furanylmethylamino)-5-sulfamoylbenzoic acid IUPAC Name: 4-butyl-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoic acid Traditional Name: 4-butyl-2-(2-furfurylamino)-5-sulfamoyl-benzoic acid Formula: C16H20N2O5S MolecularWeight: 352.4054

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C=C(C(=C1)NCC2=CC=CO2)C(=O)O)S(=O)(=O)N

Isomeric SMILES

CCCCC1=C(C=C(C(=C1)NCC2=CC=CO2)C(=O)O)S(=O)(=O)N

InChI

InChI=1S/C16H20N2O5S/c1-2-3-5-11-8-14(18-10-12-6-4-7-23-12)13(16(19)20)9-15(11)24(17,21)22/h4,6-9,18H,2-3,5,10H2,1H3,(H,19,20)(H2,17,21,22)