4-[(2-ethylsulfonylphenyl)carbonyl-methyl-amino]butanoic acid

Systemtic Name: 4-[(2-ethylsulfonylphenyl)carbonyl-methyl-amino]butanoic acid Openeye Name: 4-[(2-ethylsulfonylbenzoyl)-methyl-amino]butanoic acid CAS Name: 4-[[(2-ethylsulfonylphenyl)-oxomethyl]-methylamino]butanoic acid IUPAC Name: 4-[(2-ethylsulfonylbenzoyl)-methylamino]butanoic acid Traditional Name: 4-[(2-esylbenzoyl)-methyl-amino]butyric acid Formula: C14H19NO5S MolecularWeight: 313.36936

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC=CC=C1C(=O)N(C)CCCC(=O)O

Isomeric SMILES

CCS(=O)(=O)C1=CC=CC=C1C(=O)N(C)CCCC(=O)O

InChI

InChI=1S/C14H19NO5S/c1-3-21(19,20)12-8-5-4-7-11(12)14(18)15(2)10-6-9-13(16)17/h4-5,7-8H,3,6,9-10H2,1-2H3,(H,16,17)