3-bromanyl-4-(2,6-dimethylpiperidin-1-yl)sulfonyl-benzoic acid

Systemtic Name: 3-bromanyl-4-(2,6-dimethylpiperidin-1-yl)sulfonyl-benzoic acid Openeye Name: 3-bromo-4-[(2,6-dimethyl-1-piperidyl)sulfonyl]benzoic acid CAS Name: 3-bromo-4-[(2,6-dimethyl-1-piperidinyl)sulfonyl]benzoic acid IUPAC Name: 3-bromo-4-(2,6-dimethylpiperidin-1-yl)sulfonylbenzoic acid Traditional Name: 3-bromo-4-(2,6-dimethylpiperidino)sulfonyl-benzoic acid Formula: C14H18BrNO4S MolecularWeight: 376.26602

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(N1S(=O)(=O)C2=C(C=C(C=C2)C(=O)O)Br)C

Isomeric SMILES

CC1CCCC(N1S(=O)(=O)C2=C(C=C(C=C2)C(=O)O)Br)C

InChI

InChI=1S/C14H18BrNO4S/c1-9-4-3-5-10(2)16(9)21(19,20)13-7-6-11(14(17)18)8-12(13)15/h6-10H,3-5H2,1-2H3,(H,17,18)