sodium 2-(furan-2-ylmethylamino)-4-propan-2-ylsulfonyl-5-sulfamoyl-benzenesulfonate

Systemtic Name: sodium 2-(furan-2-ylmethylamino)-4-propan-2-ylsulfonyl-5-sulfamoyl-benzenesulfonate Openeye Name: sodium 2-(2-furylmethylamino)-4-isopropylsulfonyl-5-sulfamoyl-benzenesulfonate CAS Name: sodium 2-(2-furanylmethylamino)-4-propan-2-ylsulfonyl-5-sulfamoylbenzenesulfonate IUPAC Name: sodium 2-(furan-2-ylmethylamino)-4-propan-2-ylsulfonyl-5-sulfamoylbenzenesulfonate Traditional Name: sodium 2-(2-furfurylamino)-4-isopropylsulfonyl-5-sulfamoyl-besylate Formula: C14H17N2NaO8S3 MolecularWeight: 460.47815

Click to see the large picture

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.[Na+]

Isomeric SMILES

CC(C)S(=O)(=O)C1=C(C=C(C(=C1)NCC2=CC=CO2)S(=O)(=O)[O-])S(=O)(=O)N.[Na+]

InChI

InChI=1S/C14H18N2O8S3.Na/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);/q;+1/p-1