3-[(2,4-dimethylphenyl)sulfonyl-methyl-amino]propanoate

Systemtic Name: 3-[(2,4-dimethylphenyl)sulfonyl-methyl-amino]propanoate Openeye Name: 3-[(2,4-dimethylphenyl)sulfonyl-methyl-amino]propanoate CAS Name: 3-[(2,4-dimethylphenyl)sulfonyl-methylamino]propanoate IUPAC Name: 3-[(2,4-dimethylphenyl)sulfonyl-methylamino]propanoate Traditional Name: 3-[(2,4-dimethylphenyl)sulfonyl-methyl-amino]propionate Formula: C12H16NO4S- MolecularWeight: 270.32474

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17NO4S/c1-9-4-5-11(10(2)8-9)18(16,17)13(3)7-6-12(14)15/h4-5,8H,6-7H2,1-3H3,(H,14,15)/p-1