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

Systemtic Name: 2-(diethylamino)-5-(3,5-dimethylpiperidin-1-yl)sulfonyl-benzoic acid Openeye Name: 2-(diethylamino)-5-[(3,5-dimethyl-1-piperidyl)sulfonyl]benzoic acid CAS Name: 2-(diethylamino)-5-[(3,5-dimethyl-1-piperidinyl)sulfonyl]benzoic acid IUPAC Name: 2-(diethylamino)-5-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoic acid Traditional Name: 2-(diethylamino)-5-(3,5-dimethylpiperidino)sulfonyl-benzoic acid Formula: C18H28N2O4S MolecularWeight: 368.49092

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=C(C=C(C=C1)S(=O)(=O)N2CC(CC(C2)C)C)C(=O)O

Isomeric SMILES

CCN(CC)C1=C(C=C(C=C1)S(=O)(=O)N2CC(CC(C2)C)C)C(=O)O

InChI

InChI=1S/C18H28N2O4S/c1-5-19(6-2)17-8-7-15(10-16(17)18(21)22)25(23,24)20-11-13(3)9-14(4)12-20/h7-8,10,13-14H,5-6,9,11-12H2,1-4H3,(H,21,22)