3-(3-azanyl-3-oxidanylidene-propyl)sulfonyl-4,5-dimethyl-benzoic acid

Systemtic Name: 3-(3-azanyl-3-oxidanylidene-propyl)sulfonyl-4,5-dimethyl-benzoic acid Openeye Name: 3-(3-amino-3-oxo-propyl)sulfonyl-4,5-dimethyl-benzoic acid CAS Name: 3-(3-amino-3-oxopropyl)sulfonyl-4,5-dimethylbenzoic acid IUPAC Name: 3-(3-amino-3-oxopropyl)sulfonyl-4,5-dimethylbenzoic acid Traditional Name: 3-(3-amino-3-keto-propyl)sulfonyl-4,5-dimethyl-benzoic acid Formula: C12H15NO5S MolecularWeight: 285.3162

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)CCC(=O)N)C

Isomeric SMILES

CC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)CCC(=O)N)C

InChI

InChI=1S/C12H15NO5S/c1-7-5-9(12(15)16)6-10(8(7)2)19(17,18)4-3-11(13)14/h5-6H,3-4H2,1-2H3,(H2,13,14)(H,15,16)