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

Systemtic Name: 4-bromanyl-3-(3,5-dimethylpiperidin-1-yl)sulfonyl-benzoic acid Openeye Name: 4-bromo-3-[(3,5-dimethyl-1-piperidyl)sulfonyl]benzoic acid CAS Name: 4-bromo-3-[(3,5-dimethyl-1-piperidinyl)sulfonyl]benzoic acid IUPAC Name: 4-bromo-3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoic acid Traditional Name: 4-bromo-3-(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=C(C=CC(=C2)C(=O)O)Br)C

Isomeric SMILES

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

InChI

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