4-chloranyl-3-[2-(cyclopropylmethylamino)-2-oxidanylidene-ethyl]sulfonyl-benzoic acid

Systemtic Name: 4-chloranyl-3-[2-(cyclopropylmethylamino)-2-oxidanylidene-ethyl]sulfonyl-benzoic acid Openeye Name: 4-chloro-3-[2-(cyclopropylmethylamino)-2-oxo-ethyl]sulfonyl-benzoic acid CAS Name: 4-chloro-3-[2-(cyclopropylmethylamino)-2-oxoethyl]sulfonylbenzoic acid IUPAC Name: 4-chloro-3-[2-(cyclopropylmethylamino)-2-oxoethyl]sulfonylbenzoic acid Traditional Name: 4-chloro-3-[2-(cyclopropylmethylamino)-2-keto-ethyl]sulfonyl-benzoic acid Formula: C13H14ClNO5S MolecularWeight: 331.77196

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1CNC(=O)CS(=O)(=O)C2=C(C=CC(=C2)C(=O)O)Cl

Isomeric SMILES

C1CC1CNC(=O)CS(=O)(=O)C2=C(C=CC(=C2)C(=O)O)Cl

InChI

InChI=1S/C13H14ClNO5S/c14-10-4-3-9(13(17)18)5-11(10)21(19,20)7-12(16)15-6-8-1-2-8/h3-5,8H,1-2,6-7H2,(H,15,16)(H,17,18)