4-chloranyl-3-(cyclopropylmethylamino)-5-methylsulfinyl-benzoic acid

Systemtic Name: 4-chloranyl-3-(cyclopropylmethylamino)-5-methylsulfinyl-benzoic acid Openeye Name: 4-chloro-3-(cyclopropylmethylamino)-5-methylsulfinyl-benzoic acid CAS Name: 4-chloro-3-(cyclopropylmethylamino)-5-methylsulfinylbenzoic acid IUPAC Name: 4-chloro-3-(cyclopropylmethylamino)-5-methylsulfinylbenzoic acid Traditional Name: 4-chloro-3-(cyclopropylmethylamino)-5-methylsulfinyl-benzoic acid Formula: C12H14ClNO3S MolecularWeight: 287.76246

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)C1=CC(=CC(=C1Cl)NCC2CC2)C(=O)O

Isomeric SMILES

CS(=O)C1=CC(=CC(=C1Cl)NCC2CC2)C(=O)O

InChI

InChI=1S/C12H14ClNO3S/c1-18(17)10-5-8(12(15)16)4-9(11(10)13)14-6-7-2-3-7/h4-5,7,14H,2-3,6H2,1H3,(H,15,16)