4-chloranyl-2-(2-phenylbutylamino)-5-(1-phenylbutylsulfamoyl)benzoic acid

Systemtic Name: 4-chloranyl-2-(2-phenylbutylamino)-5-(1-phenylbutylsulfamoyl)benzoic acid Openeye Name: 4-chloro-2-(2-phenylbutylamino)-5-(1-phenylbutylsulfamoyl)benzoic acid CAS Name: 4-chloro-2-(2-phenylbutylamino)-5-(1-phenylbutylsulfamoyl)benzoic acid IUPAC Name: 4-chloro-2-(2-phenylbutylamino)-5-(1-phenylbutylsulfamoyl)benzoic acid Traditional Name: 4-chloro-2-(2-phenylbutylamino)-5-(1-phenylbutylsulfamoyl)benzoic acid Formula: C27H31ClN2O4S MolecularWeight: 515.06404

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC=CC=C1)NS(=O)(=O)C2=C(C=C(C(=C2)C(=O)O)NCC(CC)C3=CC=CC=C3)Cl

Isomeric SMILES

CCCC(C1=CC=CC=C1)NS(=O)(=O)C2=C(C=C(C(=C2)C(=O)O)NCC(CC)C3=CC=CC=C3)Cl

InChI

InChI=1S/C27H31ClN2O4S/c1-3-11-24(21-14-9-6-10-15-21)30-35(33,34)26-16-22(27(31)32)25(17-23(26)28)29-18-19(4-2)20-12-7-5-8-13-20/h5-10,12-17,19,24,29-30H,3-4,11,18H2,1-2H3,(H,31,32)