4-(pentan-2-ylsulfamoylmethyl)benzoic acid

Systemtic Name: 4-(pentan-2-ylsulfamoylmethyl)benzoic acid Openeye Name: 4-(1-methylbutylsulfamoylmethyl)benzoic acid CAS Name: 4-(pentan-2-ylsulfamoylmethyl)benzoic acid IUPAC Name: 4-(pentan-2-ylsulfamoylmethyl)benzoic acid Traditional Name: 4-(1-methylbutylsulfamoylmethyl)benzoic acid Formula: C13H19NO4S MolecularWeight: 285.35926

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)NS(=O)(=O)CC1=CC=C(C=C1)C(=O)O

Isomeric SMILES

CCCC(C)NS(=O)(=O)CC1=CC=C(C=C1)C(=O)O

InChI

InChI=1S/C13H19NO4S/c1-3-4-10(2)14-19(17,18)9-11-5-7-12(8-6-11)13(15)16/h5-8,10,14H,3-4,9H2,1-2H3,(H,15,16)