3-chloranyl-2-(dibutylamino)-5-(3,5-dimethylpiperidin-1-yl)sulfonyl-benzoic acid

Systemtic Name: 3-chloranyl-2-(dibutylamino)-5-(3,5-dimethylpiperidin-1-yl)sulfonyl-benzoic acid Openeye Name: 3-chloro-2-(dibutylamino)-5-[(3,5-dimethyl-1-piperidyl)sulfonyl]benzoic acid CAS Name: 3-chloro-2-(dibutylamino)-5-[(3,5-dimethyl-1-piperidinyl)sulfonyl]benzoic acid IUPAC Name: 3-chloro-2-(dibutylamino)-5-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoic acid Traditional Name: 3-chloro-2-(dibutylamino)-5-(3,5-dimethylpiperidino)sulfonyl-benzoic acid Formula: C22H35ClN2O4S MolecularWeight: 459.0423

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)C1=C(C=C(C=C1C(=O)O)S(=O)(=O)N2CC(CC(C2)C)C)Cl

Isomeric SMILES

CCCCN(CCCC)C1=C(C=C(C=C1C(=O)O)S(=O)(=O)N2CC(CC(C2)C)C)Cl

InChI

InChI=1S/C22H35ClN2O4S/c1-5-7-9-24(10-8-6-2)21-19(22(26)27)12-18(13-20(21)23)30(28,29)25-14-16(3)11-17(4)15-25/h12-13,16-17H,5-11,14-15H2,1-4H3,(H,26,27)