2-[(4-butan-2-ylphenyl)sulfonyl-methyl-amino]ethanoic acid

Systemtic Name: 2-[(4-butan-2-ylphenyl)sulfonyl-methyl-amino]ethanoic acid Openeye Name: 2-[methyl-(4-sec-butylphenyl)sulfonyl-amino]acetic acid CAS Name: 2-[(4-butan-2-ylphenyl)sulfonyl-methylamino]acetic acid IUPAC Name: 2-[(4-butan-2-ylphenyl)sulfonyl-methylamino]acetic acid Traditional Name: 2-[methyl-(4-sec-butylphenyl)sulfonyl-amino]acetic acid Formula: C13H19NO4S MolecularWeight: 285.35926

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)O

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)O

InChI

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