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

Systemtic Name: (5-chloranyl-1-methyl-imidazol-2-yl)methyl 1-(4-tert-butylphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: (5-chloro-1-methyl-imidazol-2-yl)methyl 1-(4-tert-butylphenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(4-tert-butylphenyl)sulfonyl-4-piperidinecarboxylic acid (5-chloro-1-methyl-2-imidazolyl)methyl ester IUPAC Name: (5-chloro-1-methylimidazol-2-yl)methyl 1-(4-tert-butylphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(4-tert-butylphenyl)sulfonylisonipecotic acid (5-chloro-1-methyl-imidazol-2-yl)methyl ester Formula: C21H28ClN3O4S MolecularWeight: 453.98272

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OCC3=NC=C(N3C)Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OCC3=NC=C(N3C)Cl

InChI

InChI=1S/C21H28ClN3O4S/c1-21(2,3)16-5-7-17(8-6-16)30(27,28)25-11-9-15(10-12-25)20(26)29-14-19-23-13-18(22)24(19)4/h5-8,13,15H,9-12,14H2,1-4H3