cyanomethyl 4-bromanyl-3-(4-methylpiperidin-1-yl)sulfonyl-benzoate

Systemtic Name: cyanomethyl 4-bromanyl-3-(4-methylpiperidin-1-yl)sulfonyl-benzoate Openeye Name: cyanomethyl 4-bromo-3-[(4-methyl-1-piperidyl)sulfonyl]benzoate CAS Name: 4-bromo-3-[(4-methyl-1-piperidinyl)sulfonyl]benzoic acid cyanomethyl ester IUPAC Name: cyanomethyl 4-bromo-3-(4-methylpiperidin-1-yl)sulfonylbenzoate Traditional Name: 4-bromo-3-(4-methylpiperidino)sulfonyl-benzoic acid cyanomethyl ester Formula: C15H17BrN2O4S MolecularWeight: 401.27548

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC#N)Br

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC#N)Br

InChI

InChI=1S/C15H17BrN2O4S/c1-11-4-7-18(8-5-11)23(20,21)14-10-12(2-3-13(14)16)15(19)22-9-6-17/h2-3,10-11H,4-5,7-9H2,1H3