2-[(3-methylphenyl)-propylsulfonyl-amino]ethanoate

Systemtic Name: 2-[(3-methylphenyl)-propylsulfonyl-amino]ethanoate Openeye Name: 2-(3-methyl-N-propylsulfonyl-anilino)acetate CAS Name: 2-(3-methyl-N-propylsulfonylanilino)acetate IUPAC Name: 2-(3-methyl-N-propylsulfonylanilino)acetate Traditional Name: 2-(3-methyl-N-propylsulfonyl-anilino)acetate Formula: C12H16NO4S- MolecularWeight: 270.32474

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)N(CC(=O)[O-])C1=CC=CC(=C1)C

Isomeric SMILES

CCCS(=O)(=O)N(CC(=O)[O-])C1=CC=CC(=C1)C

InChI

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