2-[(3-cyanophenyl)sulfonyl-methyl-amino]ethanoate

Systemtic Name: 2-[(3-cyanophenyl)sulfonyl-methyl-amino]ethanoate Openeye Name: 2-[(3-cyanophenyl)sulfonyl-methyl-amino]acetate CAS Name: 2-[(3-cyanophenyl)sulfonyl-methylamino]acetate IUPAC Name: 2-[(3-cyanophenyl)sulfonyl-methylamino]acetate Traditional Name: 2-[(3-cyanophenyl)sulfonyl-methyl-amino]acetate Formula: C10H9N2O4S- MolecularWeight: 253.25446

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(=C1)C#N

Isomeric SMILES

CN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(=C1)C#N

InChI

InChI=1S/C10H10N2O4S/c1-12(7-10(13)14)17(15,16)9-4-2-3-8(5-9)6-11/h2-5H,7H2,1H3,(H,13,14)/p-1