3-[methyl(phenethylsulfonyl)amino]propanoate

Systemtic Name: 3-[methyl(phenethylsulfonyl)amino]propanoate Openeye Name: 3-[methyl(phenethylsulfonyl)amino]propanoate CAS Name: 3-[methyl(phenethylsulfonyl)amino]propanoate IUPAC Name: 3-[methyl(phenethylsulfonyl)amino]propanoate Traditional Name: 3-[methyl(phenethylsulfonyl)amino]propionate Formula: C12H16NO4S- MolecularWeight: 270.32474

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC(=O)[O-])S(=O)(=O)CCC1=CC=CC=C1

Isomeric SMILES

CN(CCC(=O)[O-])S(=O)(=O)CCC1=CC=CC=C1

InChI

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