2-chloranyl-5-ethyl-4-piperazin-1-ylsulfonyl-benzoic acid

Systemtic Name: 2-chloranyl-5-ethyl-4-piperazin-1-ylsulfonyl-benzoic acid Openeye Name: 2-chloro-5-ethyl-4-piperazin-1-ylsulfonyl-benzoic acid CAS Name: 2-chloro-5-ethyl-4-(1-piperazinylsulfonyl)benzoic acid IUPAC Name: 2-chloro-5-ethyl-4-piperazin-1-ylsulfonylbenzoic acid Traditional Name: 2-chloro-5-ethyl-4-piperazinosulfonyl-benzoic acid Formula: C13H17ClN2O4S MolecularWeight: 332.80308

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C(=C1)C(=O)O)Cl)S(=O)(=O)N2CCNCC2

Isomeric SMILES

CCC1=C(C=C(C(=C1)C(=O)O)Cl)S(=O)(=O)N2CCNCC2

InChI

InChI=1S/C13H17ClN2O4S/c1-2-9-7-10(13(17)18)11(14)8-12(9)21(19,20)16-5-3-15-4-6-16/h7-8,15H,2-6H2,1H3,(H,17,18)