(5-chloranyl-1-methyl-imidazol-2-yl)methyl 1-(4-cyanophenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: (5-chloranyl-1-methyl-imidazol-2-yl)methyl 1-(4-cyanophenyl)sulfonylpiperidine-4-carboxylate Openeye Name: (5-chloro-1-methyl-imidazol-2-yl)methyl 1-(4-cyanophenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(4-cyanophenyl)sulfonyl-4-piperidinecarboxylic acid (5-chloro-1-methyl-2-imidazolyl)methyl ester IUPAC Name: (5-chloro-1-methylimidazol-2-yl)methyl 1-(4-cyanophenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(4-cyanophenyl)sulfonylisonipecotic acid (5-chloro-1-methyl-imidazol-2-yl)methyl ester Formula: C18H19ClN4O4S MolecularWeight: 422.88586

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CN=C1COC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C#N)Cl

Isomeric SMILES

CN1C(=CN=C1COC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C#N)Cl

InChI

InChI=1S/C18H19ClN4O4S/c1-22-16(19)11-21-17(22)12-27-18(24)14-6-8-23(9-7-14)28(25,26)15-4-2-13(10-20)3-5-15/h2-5,11,14H,6-9,12H2,1H3