2-[(4-ethynylphenyl)sulfonyl-methyl-amino]propanoic acid

Systemtic Name: 2-[(4-ethynylphenyl)sulfonyl-methyl-amino]propanoic acid Openeye Name: 2-[(4-ethynylphenyl)sulfonyl-methyl-amino]propanoic acid CAS Name: 2-[(4-ethynylphenyl)sulfonyl-methylamino]propanoic acid IUPAC Name: 2-[(4-ethynylphenyl)sulfonyl-methylamino]propanoic acid Traditional Name: 2-[(4-ethynylphenyl)sulfonyl-methyl-amino]propionic acid Formula: C12H13NO4S MolecularWeight: 267.30092

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13NO4S/c1-4-10-5-7-11(8-6-10)18(16,17)13(3)9(2)12(14)15/h1,5-9H,2-3H3,(H,14,15)