3-[(4-chloranyl-3-methyl-phenyl)sulfonyl-ethyl-amino]propanoate

Systemtic Name: 3-[(4-chloranyl-3-methyl-phenyl)sulfonyl-ethyl-amino]propanoate Openeye Name: 3-[(4-chloro-3-methyl-phenyl)sulfonyl-ethyl-amino]propanoate CAS Name: 3-[(4-chloro-3-methylphenyl)sulfonyl-ethylamino]propanoate IUPAC Name: 3-[(4-chloro-3-methylphenyl)sulfonyl-ethylamino]propanoate Traditional Name: 3-[(4-chloro-3-methyl-phenyl)sulfonyl-ethyl-amino]propionate Formula: C12H15ClNO4S- MolecularWeight: 304.7698

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCC(=O)[O-])S(=O)(=O)C1=CC(=C(C=C1)Cl)C

Isomeric SMILES

CCN(CCC(=O)[O-])S(=O)(=O)C1=CC(=C(C=C1)Cl)C

InChI

InChI=1S/C12H16ClNO4S/c1-3-14(7-6-12(15)16)19(17,18)10-4-5-11(13)9(2)8-10/h4-5,8H,3,6-7H2,1-2H3,(H,15,16)/p-1