4-methyl-3-[1-oxidanylidene-1-(propylamino)propan-2-yl]sulfonyl-benzoic acid

Systemtic Name: 4-methyl-3-[1-oxidanylidene-1-(propylamino)propan-2-yl]sulfonyl-benzoic acid Openeye Name: 4-methyl-3-[1-methyl-2-oxo-2-(propylamino)ethyl]sulfonyl-benzoic acid CAS Name: 4-methyl-3-[1-oxo-1-(propylamino)propan-2-yl]sulfonylbenzoic acid IUPAC Name: 4-methyl-3-[1-oxo-1-(propylamino)propan-2-yl]sulfonylbenzoic acid Traditional Name: 3-[2-keto-1-methyl-2-(propylamino)ethyl]sulfonyl-4-methyl-benzoic acid Formula: C14H19NO5S MolecularWeight: 313.36936

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C(C)S(=O)(=O)C1=C(C=CC(=C1)C(=O)O)C

Isomeric SMILES

CCCNC(=O)C(C)S(=O)(=O)C1=C(C=CC(=C1)C(=O)O)C

InChI

InChI=1S/C14H19NO5S/c1-4-7-15-13(16)10(3)21(19,20)12-8-11(14(17)18)6-5-9(12)2/h5-6,8,10H,4,7H2,1-3H3,(H,15,16)(H,17,18)