2-bromanyl-5-(4,4-dimethylpiperidin-1-yl)sulfonyl-benzoic acid

Systemtic Name: 2-bromanyl-5-(4,4-dimethylpiperidin-1-yl)sulfonyl-benzoic acid Openeye Name: 2-bromo-5-[(4,4-dimethyl-1-piperidyl)sulfonyl]benzoic acid CAS Name: 2-bromo-5-[(4,4-dimethyl-1-piperidinyl)sulfonyl]benzoic acid IUPAC Name: 2-bromo-5-(4,4-dimethylpiperidin-1-yl)sulfonylbenzoic acid Traditional Name: 2-bromo-5-(4,4-dimethylpiperidino)sulfonyl-benzoic acid Formula: C14H18BrNO4S MolecularWeight: 376.26602

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Br)C(=O)O)C

Isomeric SMILES

CC1(CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Br)C(=O)O)C

InChI

InChI=1S/C14H18BrNO4S/c1-14(2)5-7-16(8-6-14)21(19,20)10-3-4-12(15)11(9-10)13(17)18/h3-4,9H,5-8H2,1-2H3,(H,17,18)