3-chloranyl-5-(3,5-diethylpiperidin-1-yl)sulfonyl-2-methoxy-benzoic acid

Systemtic Name: 3-chloranyl-5-(3,5-diethylpiperidin-1-yl)sulfonyl-2-methoxy-benzoic acid Openeye Name: 3-chloro-5-[(3,5-diethyl-1-piperidyl)sulfonyl]-2-methoxy-benzoic acid CAS Name: 3-chloro-5-[(3,5-diethyl-1-piperidinyl)sulfonyl]-2-methoxybenzoic acid IUPAC Name: 3-chloro-5-(3,5-diethylpiperidin-1-yl)sulfonyl-2-methoxybenzoic acid Traditional Name: 3-chloro-5-(3,5-diethylpiperidino)sulfonyl-2-methoxy-benzoic acid Formula: C17H24ClNO5S MolecularWeight: 389.89416

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CC(CN(C1)S(=O)(=O)C2=CC(=C(C(=C2)C(=O)O)OC)Cl)CC

Isomeric SMILES

CCC1CC(CN(C1)S(=O)(=O)C2=CC(=C(C(=C2)C(=O)O)OC)Cl)CC

InChI

InChI=1S/C17H24ClNO5S/c1-4-11-6-12(5-2)10-19(9-11)25(22,23)13-7-14(17(20)21)16(24-3)15(18)8-13/h7-8,11-12H,4-6,9-10H2,1-3H3,(H,20,21)