3-[(3-methylphenyl)-propylsulfonyl-amino]propanoate

Systemtic Name: 3-[(3-methylphenyl)-propylsulfonyl-amino]propanoate Openeye Name: 3-(3-methyl-N-propylsulfonyl-anilino)propanoate CAS Name: 3-(3-methyl-N-propylsulfonylanilino)propanoate IUPAC Name: 3-(3-methyl-N-propylsulfonylanilino)propanoate Traditional Name: 3-(3-methyl-N-propylsulfonyl-anilino)propionate Formula: C13H18NO4S- MolecularWeight: 284.35132

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19NO4S/c1-3-9-19(17,18)14(8-7-13(15)16)12-6-4-5-11(2)10-12/h4-6,10H,3,7-9H2,1-2H3,(H,15,16)/p-1