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

Systemtic Name: 2-bromanyl-5-(3-methylpiperidin-1-yl)sulfonyl-benzoic acid Openeye Name: 2-bromo-5-[(3-methyl-1-piperidyl)sulfonyl]benzoic acid CAS Name: 2-bromo-5-[(3-methyl-1-piperidinyl)sulfonyl]benzoic acid IUPAC Name: 2-bromo-5-(3-methylpiperidin-1-yl)sulfonylbenzoic acid Traditional Name: 2-bromo-5-(3-methylpiperidino)sulfonyl-benzoic acid Formula: C13H16BrNO4S MolecularWeight: 362.23944

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)Br)C(=O)O

Isomeric SMILES

CC1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)Br)C(=O)O

InChI

InChI=1S/C13H16BrNO4S/c1-9-3-2-6-15(8-9)20(18,19)10-4-5-12(14)11(7-10)13(16)17/h4-5,7,9H,2-3,6,8H2,1H3,(H,16,17)