4-chloranyl-5-[(5-methylfuran-2-yl)methylsulfamoyl]-2-(2-phenylbutylamino)benzoic acid

Systemtic Name: 4-chloranyl-5-[(5-methylfuran-2-yl)methylsulfamoyl]-2-(2-phenylbutylamino)benzoic acid Openeye Name: 4-chloro-5-[(5-methyl-2-furyl)methylsulfamoyl]-2-(2-phenylbutylamino)benzoic acid CAS Name: 4-chloro-5-[(5-methyl-2-furanyl)methylsulfamoyl]-2-(2-phenylbutylamino)benzoic acid IUPAC Name: 4-chloro-5-[(5-methylfuran-2-yl)methylsulfamoyl]-2-(2-phenylbutylamino)benzoic acid Traditional Name: 4-chloro-5-[(5-methyl-2-furyl)methylsulfamoyl]-2-(2-phenylbutylamino)benzoic acid Formula: C23H25ClN2O5S MolecularWeight: 476.973

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CNC1=CC(=C(C=C1C(=O)O)S(=O)(=O)NCC2=CC=C(O2)C)Cl)C3=CC=CC=C3

Isomeric SMILES

CCC(CNC1=CC(=C(C=C1C(=O)O)S(=O)(=O)NCC2=CC=C(O2)C)Cl)C3=CC=CC=C3

InChI

InChI=1S/C23H25ClN2O5S/c1-3-16(17-7-5-4-6-8-17)13-25-21-12-20(24)22(11-19(21)23(27)28)32(29,30)26-14-18-10-9-15(2)31-18/h4-12,16,25-26H,3,13-14H2,1-2H3,(H,27,28)