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

Systemtic Name: 2-[methyl-(4-propylsulfonylphenyl)amino]ethanoic acid Openeye Name: 2-(N-methyl-4-propylsulfonyl-anilino)acetic acid CAS Name: 2-(N-methyl-4-propylsulfonylanilino)acetic acid IUPAC Name: 2-(N-methyl-4-propylsulfonylanilino)acetic acid Traditional Name: 2-(N-methyl-4-propylsulfonyl-anilino)acetic acid Formula: C12H17NO4S MolecularWeight: 271.33268

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17NO4S/c1-3-8-18(16,17)11-6-4-10(5-7-11)13(2)9-12(14)15/h4-7H,3,8-9H2,1-2H3,(H,14,15)