3-[ethylsulfonyl-(2-methylphenyl)amino]propanoate

Systemtic Name: 3-[ethylsulfonyl-(2-methylphenyl)amino]propanoate Openeye Name: 3-(N-ethylsulfonyl-2-methyl-anilino)propanoate CAS Name: 3-(N-ethylsulfonyl-2-methylanilino)propanoate IUPAC Name: 3-(N-ethylsulfonyl-2-methylanilino)propanoate Traditional Name: 3-(N-esyl-2-methyl-anilino)propionate Formula: C12H16NO4S- MolecularWeight: 270.32474

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N(CCC(=O)[O-])C1=CC=CC=C1C

Isomeric SMILES

CCS(=O)(=O)N(CCC(=O)[O-])C1=CC=CC=C1C

InChI

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