5-[(4-butylphenyl)sulfamoyl]-2-morpholin-4-yl-benzoic acid

Systemtic Name: 5-[(4-butylphenyl)sulfamoyl]-2-morpholin-4-yl-benzoic acid Openeye Name: 5-[(4-butylphenyl)sulfamoyl]-2-morpholino-benzoic acid CAS Name: 5-[(4-butylphenyl)sulfamoyl]-2-(4-morpholinyl)benzoic acid IUPAC Name: 5-[(4-butylphenyl)sulfamoyl]-2-morpholin-4-ylbenzoic acid Traditional Name: 5-[(4-butylphenyl)sulfamoyl]-2-morpholino-benzoic acid Formula: C21H26N2O5S MolecularWeight: 418.50654

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)N3CCOCC3)C(=O)O

Isomeric SMILES

CCCCC1=CC=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)N3CCOCC3)C(=O)O

InChI

InChI=1S/C21H26N2O5S/c1-2-3-4-16-5-7-17(8-6-16)22-29(26,27)18-9-10-20(19(15-18)21(24)25)23-11-13-28-14-12-23/h5-10,15,22H,2-4,11-14H2,1H3,(H,24,25)