3-[(3-methylphenyl)-methylsulfonyl-amino]propanoate

Systemtic Name: 3-[(3-methylphenyl)-methylsulfonyl-amino]propanoate Openeye Name: 3-(3-methyl-N-methylsulfonyl-anilino)propanoate CAS Name: 3-(3-methyl-N-methylsulfonylanilino)propanoate IUPAC Name: 3-(3-methyl-N-methylsulfonylanilino)propanoate Traditional Name: 3-(N-mesyl-3-methyl-anilino)propionate Formula: C11H14NO4S- MolecularWeight: 256.29816

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H15NO4S/c1-9-4-3-5-10(8-9)12(17(2,15)16)7-6-11(13)14/h3-5,8H,6-7H2,1-2H3,(H,13,14)/p-1