3-[(2,4-dimethylphenyl)-propylsulfonyl-amino]propanoate

Systemtic Name: 3-[(2,4-dimethylphenyl)-propylsulfonyl-amino]propanoate Openeye Name: 3-(2,4-dimethyl-N-propylsulfonyl-anilino)propanoate CAS Name: 3-(2,4-dimethyl-N-propylsulfonylanilino)propanoate IUPAC Name: 3-(2,4-dimethyl-N-propylsulfonylanilino)propanoate Traditional Name: 3-(2,4-dimethyl-N-propylsulfonyl-anilino)propionate Formula: C14H20NO4S- MolecularWeight: 298.3779

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H21NO4S/c1-4-9-20(18,19)15(8-7-14(16)17)13-6-5-11(2)10-12(13)3/h5-6,10H,4,7-9H2,1-3H3,(H,16,17)/p-1