2-(butylamino)-4-chloranyl-5-methylsulfonyl-benzoic acid

Systemtic Name: 2-(butylamino)-4-chloranyl-5-methylsulfonyl-benzoic acid Openeye Name: 2-(butylamino)-4-chloro-5-methylsulfonyl-benzoic acid CAS Name: 2-(butylamino)-4-chloro-5-methylsulfonylbenzoic acid IUPAC Name: 2-(butylamino)-4-chloro-5-methylsulfonylbenzoic acid Traditional Name: 2-(butylamino)-4-chloro-5-mesyl-benzoic acid Formula: C12H16ClNO4S MolecularWeight: 305.77774

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=CC(=C(C=C1C(=O)O)S(=O)(=O)C)Cl

Isomeric SMILES

CCCCNC1=CC(=C(C=C1C(=O)O)S(=O)(=O)C)Cl

InChI

InChI=1S/C12H16ClNO4S/c1-3-4-5-14-10-7-9(13)11(19(2,17)18)6-8(10)12(15)16/h6-7,14H,3-5H2,1-2H3,(H,15,16)