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

Systemtic Name: (5-chloranyl-1-methyl-imidazol-2-yl)methyl 1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: (5-chloro-1-methyl-imidazol-2-yl)methyl 1-(4-isopropylphenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(4-propan-2-ylphenyl)sulfonyl-4-piperidinecarboxylic acid (5-chloro-1-methyl-2-imidazolyl)methyl ester IUPAC Name: (5-chloro-1-methylimidazol-2-yl)methyl 1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-p-cumenylsulfonylisonipecotic acid (5-chloro-1-methyl-imidazol-2-yl)methyl ester Formula: C20H26ClN3O4S MolecularWeight: 439.95614

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26ClN3O4S/c1-14(2)15-4-6-17(7-5-15)29(26,27)24-10-8-16(9-11-24)20(25)28-13-19-22-12-18(21)23(19)3/h4-7,12,14,16H,8-11,13H2,1-3H3