2-[butyl-(3-chloranyl-4-methyl-phenyl)sulfonyl-amino]ethanoic acid

Systemtic Name: 2-[butyl-(3-chloranyl-4-methyl-phenyl)sulfonyl-amino]ethanoic acid Openeye Name: 2-[butyl-(3-chloro-4-methyl-phenyl)sulfonyl-amino]acetic acid CAS Name: 2-[butyl-(3-chloro-4-methylphenyl)sulfonylamino]acetic acid IUPAC Name: 2-[butyl-(3-chloro-4-methylphenyl)sulfonylamino]acetic acid Traditional Name: 2-[butyl-(3-chloro-4-methyl-phenyl)sulfonyl-amino]acetic acid Formula: C13H18ClNO4S MolecularWeight: 319.80432

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC(=O)O)S(=O)(=O)C1=CC(=C(C=C1)C)Cl

Isomeric SMILES

CCCCN(CC(=O)O)S(=O)(=O)C1=CC(=C(C=C1)C)Cl

InChI

InChI=1S/C13H18ClNO4S/c1-3-4-7-15(9-13(16)17)20(18,19)11-6-5-10(2)12(14)8-11/h5-6,8H,3-4,7,9H2,1-2H3,(H,16,17)