3-[(2-methoxy-5-methyl-phenyl)sulfonyl-methyl-amino]propanoate

Systemtic Name: 3-[(2-methoxy-5-methyl-phenyl)sulfonyl-methyl-amino]propanoate Openeye Name: 3-[(2-methoxy-5-methyl-phenyl)sulfonyl-methyl-amino]propanoate CAS Name: 3-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]propanoate IUPAC Name: 3-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]propanoate Traditional Name: 3-[(2-methoxy-5-methyl-phenyl)sulfonyl-methyl-amino]propionate Formula: C12H16NO5S- MolecularWeight: 286.32414

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17NO5S/c1-9-4-5-10(18-3)11(8-9)19(16,17)13(2)7-6-12(14)15/h4-5,8H,6-7H2,1-3H3,(H,14,15)/p-1