ethyl 1-[(Z)-N-(5-bromanyl-2-ethoxy-phenyl)sulfonyl-C-phenyl-carbonimidoyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[(Z)-N-(5-bromanyl-2-ethoxy-phenyl)sulfonyl-C-phenyl-carbonimidoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[(Z)-N-(5-bromo-2-ethoxy-phenyl)sulfonyl-C-phenyl-carbonimidoyl]piperidine-4-carboxylate CAS Name: 1-[(Z)-(5-bromo-2-ethoxyphenyl)sulfonylimino-phenylmethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(Z)-N-(5-bromo-2-ethoxyphenyl)sulfonyl-C-phenylcarbonimidoyl]piperidine-4-carboxylate Traditional Name: 1-[(Z)-N-(5-bromo-2-ethoxy-phenyl)sulfonyl-C-phenyl-carbonimidoyl]isonipecotic acid ethyl ester Formula: C23H27BrN2O5S MolecularWeight: 523.43988

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)Br)S(=O)(=O)N=C(C2=CC=CC=C2)N3CCC(CC3)C(=O)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)Br)S(=O)(=O)/N=C(/C2=CC=CC=C2)\N3CCC(CC3)C(=O)OCC

InChI

InChI=1S/C23H27BrN2O5S/c1-3-30-20-11-10-19(24)16-21(20)32(28,29)25-22(17-8-6-5-7-9-17)26-14-12-18(13-15-26)23(27)31-4-2/h5-11,16,18H,3-4,12-15H2,1-2H3/b25-22-