tert-butyl 4-[(E)-2-(4-chlorophenyl)-1-methoxy-ethenyl]sulfonylpiperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[(E)-2-(4-chlorophenyl)-1-methoxy-ethenyl]sulfonylpiperazine-1-carboxylate Openeye Name: tert-butyl 4-[(E)-2-(4-chlorophenyl)-1-methoxy-vinyl]sulfonylpiperazine-1-carboxylate CAS Name: 4-[(E)-2-(4-chlorophenyl)-1-methoxyethenyl]sulfonyl-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(E)-2-(4-chlorophenyl)-1-methoxyethenyl]sulfonylpiperazine-1-carboxylate Traditional Name: 4-[(E)-2-(4-chlorophenyl)-1-methoxy-vinyl]sulfonylpiperazine-1-carboxylic acid tert-butyl ester Formula: C18H25ClN2O5S MolecularWeight: 416.9195

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)S(=O)(=O)C(=CC2=CC=C(C=C2)Cl)OC

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)S(=O)(=O)/C(=C/C2=CC=C(C=C2)Cl)/OC

InChI

InChI=1S/C18H25ClN2O5S/c1-18(2,3)26-17(22)20-9-11-21(12-10-20)27(23,24)16(25-4)13-14-5-7-15(19)8-6-14/h5-8,13H,9-12H2,1-4H3/b16-13+