2-bromanyl-4-chloranyl-5-(4-methylpiperidin-1-yl)sulfonyl-benzoic acid

Systemtic Name: 2-bromanyl-4-chloranyl-5-(4-methylpiperidin-1-yl)sulfonyl-benzoic acid Openeye Name: 2-bromo-4-chloro-5-[(4-methyl-1-piperidyl)sulfonyl]benzoic acid CAS Name: 2-bromo-4-chloro-5-[(4-methyl-1-piperidinyl)sulfonyl]benzoic acid IUPAC Name: 2-bromo-4-chloro-5-(4-methylpiperidin-1-yl)sulfonylbenzoic acid Traditional Name: 2-bromo-4-chloro-5-(4-methylpiperidino)sulfonyl-benzoic acid Formula: C13H15BrClNO4S MolecularWeight: 396.6845

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=C(C=C(C(=C2)C(=O)O)Br)Cl

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=C(C=C(C(=C2)C(=O)O)Br)Cl

InChI

InChI=1S/C13H15BrClNO4S/c1-8-2-4-16(5-3-8)21(19,20)12-6-9(13(17)18)10(14)7-11(12)15/h6-8H,2-5H2,1H3,(H,17,18)