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

Systemtic Name: 2-[(4-butylsulfonylphenyl)-methyl-amino]ethanoic acid Openeye Name: 2-(4-butylsulfonyl-N-methyl-anilino)acetic acid CAS Name: 2-(4-butylsulfonyl-N-methylanilino)acetic acid IUPAC Name: 2-(4-butylsulfonyl-N-methylanilino)acetic acid Traditional Name: 2-(4-butylsulfonyl-N-methyl-anilino)acetic acid Formula: C13H19NO4S MolecularWeight: 285.35926

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19NO4S/c1-3-4-9-19(17,18)12-7-5-11(6-8-12)14(2)10-13(15)16/h5-8H,3-4,9-10H2,1-2H3,(H,15,16)