ethyl 1-(4-bromanyl-2-ethyl-phenyl)sulfonylpiperidine-3-carboxylate

Systemtic Name: ethyl 1-(4-bromanyl-2-ethyl-phenyl)sulfonylpiperidine-3-carboxylate Openeye Name: ethyl 1-(4-bromo-2-ethyl-phenyl)sulfonylpiperidine-3-carboxylate CAS Name: 1-(4-bromo-2-ethylphenyl)sulfonyl-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(4-bromo-2-ethylphenyl)sulfonylpiperidine-3-carboxylate Traditional Name: 1-(4-bromo-2-ethyl-phenyl)sulfonylnipecotic acid ethyl ester Formula: C16H22BrNO4S MolecularWeight: 404.31918

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)Br)S(=O)(=O)N2CCCC(C2)C(=O)OCC

Isomeric SMILES

CCC1=C(C=CC(=C1)Br)S(=O)(=O)N2CCCC(C2)C(=O)OCC

InChI

InChI=1S/C16H22BrNO4S/c1-3-12-10-14(17)7-8-15(12)23(20,21)18-9-5-6-13(11-18)16(19)22-4-2/h7-8,10,13H,3-6,9,11H2,1-2H3