4-[methylsulfonyl-(phenylmethyl)amino]butanoic acid

Systemtic Name: 4-[methylsulfonyl-(phenylmethyl)amino]butanoic acid Openeye Name: 4-[benzyl(methylsulfonyl)amino]butanoic acid CAS Name: 4-[methylsulfonyl-(phenylmethyl)amino]butanoic acid IUPAC Name: 4-[benzyl(methylsulfonyl)amino]butanoic acid Traditional Name: 4-[benzyl(mesyl)amino]butyric acid Formula: C12H17NO4S MolecularWeight: 271.33268

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CCCC(=O)O)CC1=CC=CC=C1

Isomeric SMILES

CS(=O)(=O)N(CCCC(=O)O)CC1=CC=CC=C1

InChI

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