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

Systemtic Name: 3-bromanyl-5-(3,5-dimethylpiperidin-1-yl)sulfonyl-benzoic acid Openeye Name: 3-bromo-5-[(3,5-dimethyl-1-piperidyl)sulfonyl]benzoic acid CAS Name: 3-bromo-5-[(3,5-dimethyl-1-piperidinyl)sulfonyl]benzoic acid IUPAC Name: 3-bromo-5-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoic acid Traditional Name: 3-bromo-5-(3,5-dimethylpiperidino)sulfonyl-benzoic acid Formula: C14H18BrNO4S MolecularWeight: 376.26602

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)S(=O)(=O)C2=CC(=CC(=C2)C(=O)O)Br)C

Isomeric SMILES

CC1CC(CN(C1)S(=O)(=O)C2=CC(=CC(=C2)C(=O)O)Br)C

InChI

InChI=1S/C14H18BrNO4S/c1-9-3-10(2)8-16(7-9)21(19,20)13-5-11(14(17)18)4-12(15)6-13/h4-6,9-10H,3,7-8H2,1-2H3,(H,17,18)