3-azanyl-2,4-dimethyl-5-methylsulfonyl-benzoic acid

Systemtic Name: 3-azanyl-2,4-dimethyl-5-methylsulfonyl-benzoic acid Openeye Name: 3-amino-2,4-dimethyl-5-methylsulfonyl-benzoic acid CAS Name: 3-amino-2,4-dimethyl-5-methylsulfonylbenzoic acid IUPAC Name: 3-amino-2,4-dimethyl-5-methylsulfonylbenzoic acid Traditional Name: 3-amino-5-mesyl-2,4-dimethyl-benzoic acid Formula: C10H13NO4S MolecularWeight: 243.27952

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1C(=O)O)S(=O)(=O)C)C)N

Isomeric SMILES

CC1=C(C(=C(C=C1C(=O)O)S(=O)(=O)C)C)N

InChI

InChI=1S/C10H13NO4S/c1-5-7(10(12)13)4-8(16(3,14)15)6(2)9(5)11/h4H,11H2,1-3H3,(H,12,13)