3-bromanyl-4-(2-methylpiperidin-1-yl)sulfonyl-benzoic acid

Systemtic Name: 3-bromanyl-4-(2-methylpiperidin-1-yl)sulfonyl-benzoic acid Openeye Name: 3-bromo-4-[(2-methyl-1-piperidyl)sulfonyl]benzoic acid CAS Name: 3-bromo-4-[(2-methyl-1-piperidinyl)sulfonyl]benzoic acid IUPAC Name: 3-bromo-4-(2-methylpiperidin-1-yl)sulfonylbenzoic acid Traditional Name: 3-bromo-4-(2-methylpiperidino)sulfonyl-benzoic acid Formula: C13H16BrNO4S MolecularWeight: 362.23944

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1S(=O)(=O)C2=C(C=C(C=C2)C(=O)O)Br

Isomeric SMILES

CC1CCCCN1S(=O)(=O)C2=C(C=C(C=C2)C(=O)O)Br

InChI

InChI=1S/C13H16BrNO4S/c1-9-4-2-3-7-15(9)20(18,19)12-6-5-10(13(16)17)8-11(12)14/h5-6,8-9H,2-4,7H2,1H3,(H,16,17)