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

Systemtic Name: 2-bromanyl-5-(3,5-diethylpiperidin-1-yl)sulfonyl-benzoic acid Openeye Name: 2-bromo-5-[(3,5-diethyl-1-piperidyl)sulfonyl]benzoic acid CAS Name: 2-bromo-5-[(3,5-diethyl-1-piperidinyl)sulfonyl]benzoic acid IUPAC Name: 2-bromo-5-(3,5-diethylpiperidin-1-yl)sulfonylbenzoic acid Traditional Name: 2-bromo-5-(3,5-diethylpiperidino)sulfonyl-benzoic acid Formula: C16H22BrNO4S MolecularWeight: 404.31918

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CC(CN(C1)S(=O)(=O)C2=CC(=C(C=C2)Br)C(=O)O)CC

Isomeric SMILES

CCC1CC(CN(C1)S(=O)(=O)C2=CC(=C(C=C2)Br)C(=O)O)CC

InChI

InChI=1S/C16H22BrNO4S/c1-3-11-7-12(4-2)10-18(9-11)23(21,22)13-5-6-15(17)14(8-13)16(19)20/h5-6,8,11-12H,3-4,7,9-10H2,1-2H3,(H,19,20)