2-(furan-2-ylmethylamino)-4-propan-2-ylsulfonyl-5-sulfamoyl-benzenesulfonic acid

Systemtic Name: 2-(furan-2-ylmethylamino)-4-propan-2-ylsulfonyl-5-sulfamoyl-benzenesulfonic acid Openeye Name: 2-(2-furylmethylamino)-4-isopropylsulfonyl-5-sulfamoyl-benzenesulfonic acid CAS Name: 2-(2-furanylmethylamino)-4-propan-2-ylsulfonyl-5-sulfamoylbenzenesulfonic acid IUPAC Name: 2-(furan-2-ylmethylamino)-4-propan-2-ylsulfonyl-5-sulfamoylbenzenesulfonic acid Traditional Name: 2-(2-furfurylamino)-4-isopropylsulfonyl-5-sulfamoyl-besylic acid Formula: C14H18N2O8S3 MolecularWeight: 438.49632

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N2O8S3/c1-9(2)25(17,18)13-6-11(16-8-10-4-3-5-24-10)12(27(21,22)23)7-14(13)26(15,19)20/h3-7,9,16H,8H2,1-2H3,(H2,15,19,20)(H,21,22,23)