ethyl 3-bromanyl-4-(3,5-dimethylpiperidin-1-yl)sulfonyl-benzoate

Systemtic Name: ethyl 3-bromanyl-4-(3,5-dimethylpiperidin-1-yl)sulfonyl-benzoate Openeye Name: ethyl 3-bromo-4-[(3,5-dimethyl-1-piperidyl)sulfonyl]benzoate CAS Name: 3-bromo-4-[(3,5-dimethyl-1-piperidinyl)sulfonyl]benzoic acid ethyl ester IUPAC Name: ethyl 3-bromo-4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoate Traditional Name: 3-bromo-4-(3,5-dimethylpiperidino)sulfonyl-benzoic acid ethyl ester Formula: C16H22BrNO4S MolecularWeight: 404.31918

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)S(=O)(=O)N2CC(CC(C2)C)C)Br

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)S(=O)(=O)N2CC(CC(C2)C)C)Br

InChI

InChI=1S/C16H22BrNO4S/c1-4-22-16(19)13-5-6-15(14(17)8-13)23(20,21)18-9-11(2)7-12(3)10-18/h5-6,8,11-12H,4,7,9-10H2,1-3H3