2-[(4-tert-butylphenyl)carbonyl-(furan-2-ylmethyl)amino]-4-chloranyl-5-sulfamoyl-benzoic acid

Systemtic Name: 2-[(4-tert-butylphenyl)carbonyl-(furan-2-ylmethyl)amino]-4-chloranyl-5-sulfamoyl-benzoic acid Openeye Name: 2-[(4-tert-butylbenzoyl)-(2-furylmethyl)amino]-4-chloro-5-sulfamoyl-benzoic acid CAS Name: 2-[[(4-tert-butylphenyl)-oxomethyl]-(2-furanylmethyl)amino]-4-chloro-5-sulfamoylbenzoic acid IUPAC Name: 2-[(4-tert-butylbenzoyl)-(furan-2-ylmethyl)amino]-4-chloro-5-sulfamoylbenzoic acid Traditional Name: 2-[(4-tert-butylbenzoyl)-(2-furfuryl)amino]-4-chloro-5-sulfamoyl-benzoic acid Formula: C23H23ClN2O6S MolecularWeight: 490.95652

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)N(CC2=CC=CO2)C3=CC(=C(C=C3C(=O)O)S(=O)(=O)N)Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)N(CC2=CC=CO2)C3=CC(=C(C=C3C(=O)O)S(=O)(=O)N)Cl

InChI

InChI=1S/C23H23ClN2O6S/c1-23(2,3)15-8-6-14(7-9-15)21(27)26(13-16-5-4-10-32-16)19-12-18(24)20(33(25,30)31)11-17(19)22(28)29/h4-12H,13H2,1-3H3,(H,28,29)(H2,25,30,31)