2-[(4-cyanophenyl)methylsulfonyl-methyl-amino]ethanoate

Systemtic Name: 2-[(4-cyanophenyl)methylsulfonyl-methyl-amino]ethanoate Openeye Name: 2-[(4-cyanophenyl)methylsulfonyl-methyl-amino]acetate CAS Name: 2-[(4-cyanophenyl)methylsulfonyl-methylamino]acetate IUPAC Name: 2-[(4-cyanophenyl)methylsulfonyl-methylamino]acetate Traditional Name: 2-[(4-cyanobenzyl)sulfonyl-methyl-amino]acetate Formula: C11H11N2O4S- MolecularWeight: 267.28104

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)[O-])S(=O)(=O)CC1=CC=C(C=C1)C#N

Isomeric SMILES

CN(CC(=O)[O-])S(=O)(=O)CC1=CC=C(C=C1)C#N

InChI

InChI=1S/C11H12N2O4S/c1-13(7-11(14)15)18(16,17)8-10-4-2-9(6-12)3-5-10/h2-5H,7-8H2,1H3,(H,14,15)/p-1