4-[butyl(butylamino)sulfamoyl]-3-phenyl-benzoic acid

Systemtic Name: 4-[butyl(butylamino)sulfamoyl]-3-phenyl-benzoic acid Openeye Name: 4-[butyl(butylamino)sulfamoyl]-3-phenyl-benzoic acid CAS Name: 4-[butyl(butylamino)sulfamoyl]-3-phenylbenzoic acid IUPAC Name: 4-[butyl(butylamino)sulfamoyl]-3-phenylbenzoic acid Traditional Name: 4-[butyl(butylamino)sulfamoyl]-3-phenyl-benzoic acid Formula: C21H28N2O4S MolecularWeight: 404.52302

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNN(CCCC)S(=O)(=O)C1=C(C=C(C=C1)C(=O)O)C2=CC=CC=C2

Isomeric SMILES

CCCCNN(CCCC)S(=O)(=O)C1=C(C=C(C=C1)C(=O)O)C2=CC=CC=C2

InChI

InChI=1S/C21H28N2O4S/c1-3-5-14-22-23(15-6-4-2)28(26,27)20-13-12-18(21(24)25)16-19(20)17-10-8-7-9-11-17/h7-13,16,22H,3-6,14-15H2,1-2H3,(H,24,25)