4-[methyl-(2-propylsulfonylphenyl)amino]butanoic acid

Systemtic Name: 4-[methyl-(2-propylsulfonylphenyl)amino]butanoic acid Openeye Name: 4-(N-methyl-2-propylsulfonyl-anilino)butanoic acid CAS Name: 4-(N-methyl-2-propylsulfonylanilino)butanoic acid IUPAC Name: 4-(N-methyl-2-propylsulfonylanilino)butanoic acid Traditional Name: 4-(N-methyl-2-propylsulfonyl-anilino)butyric acid Formula: C14H21NO4S MolecularWeight: 299.38584

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)C1=CC=CC=C1N(C)CCCC(=O)O

Isomeric SMILES

CCCS(=O)(=O)C1=CC=CC=C1N(C)CCCC(=O)O

InChI

InChI=1S/C14H21NO4S/c1-3-11-20(18,19)13-8-5-4-7-12(13)15(2)10-6-9-14(16)17/h4-5,7-8H,3,6,9-11H2,1-2H3,(H,16,17)