3-[(4-propylsulfonylphenyl)amino]butanoic acid

Systemtic Name: 3-[(4-propylsulfonylphenyl)amino]butanoic acid Openeye Name: 3-(4-propylsulfonylanilino)butanoic acid CAS Name: 3-(4-propylsulfonylanilino)butanoic acid IUPAC Name: 3-(4-propylsulfonylanilino)butanoic acid Traditional Name: 3-(4-propylsulfonylanilino)butyric acid Formula: C13H19NO4S MolecularWeight: 285.35926

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)C1=CC=C(C=C1)NC(C)CC(=O)O

Isomeric SMILES

CCCS(=O)(=O)C1=CC=C(C=C1)NC(C)CC(=O)O

InChI

InChI=1S/C13H19NO4S/c1-3-8-19(17,18)12-6-4-11(5-7-12)14-10(2)9-13(15)16/h4-7,10,14H,3,8-9H2,1-2H3,(H,15,16)