4-[methyl-(phenylmethyl)sulfonyl-amino]butanoic acid

Systemtic Name: 4-[methyl-(phenylmethyl)sulfonyl-amino]butanoic acid Openeye Name: 4-[benzylsulfonyl(methyl)amino]butanoic acid CAS Name: 4-[methyl-(phenylmethyl)sulfonylamino]butanoic acid IUPAC Name: 4-[benzylsulfonyl(methyl)amino]butanoic acid Traditional Name: 4-[benzylsulfonyl(methyl)amino]butyric acid Formula: C12H17NO4S MolecularWeight: 271.33268

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCC(=O)O)S(=O)(=O)CC1=CC=CC=C1

Isomeric SMILES

CN(CCCC(=O)O)S(=O)(=O)CC1=CC=CC=C1

InChI

InChI=1S/C12H17NO4S/c1-13(9-5-8-12(14)15)18(16,17)10-11-6-3-2-4-7-11/h2-4,6-7H,5,8-10H2,1H3,(H,14,15)