4-(butylamino)-3-chloranyl-5-methylsulfonyl-benzoic acid

Systemtic Name: 4-(butylamino)-3-chloranyl-5-methylsulfonyl-benzoic acid Openeye Name: 4-(butylamino)-3-chloro-5-methylsulfonyl-benzoic acid CAS Name: 4-(butylamino)-3-chloro-5-methylsulfonylbenzoic acid IUPAC Name: 4-(butylamino)-3-chloro-5-methylsulfonylbenzoic acid Traditional Name: 4-(butylamino)-3-chloro-5-mesyl-benzoic acid Formula: C12H16ClNO4S MolecularWeight: 305.77774

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=C(C=C(C=C1Cl)C(=O)O)S(=O)(=O)C

Isomeric SMILES

CCCCNC1=C(C=C(C=C1Cl)C(=O)O)S(=O)(=O)C

InChI

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