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

Systemtic Name: 4-[(2-ethylsulfonylphenyl)-methyl-amino]butanoic acid Openeye Name: 4-(2-ethylsulfonyl-N-methyl-anilino)butanoic acid CAS Name: 4-(2-ethylsulfonyl-N-methylanilino)butanoic acid IUPAC Name: 4-(2-ethylsulfonyl-N-methylanilino)butanoic acid Traditional Name: 4-(2-esyl-N-methyl-anilino)butyric acid Formula: C13H19NO4S MolecularWeight: 285.35926

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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