tert-butyl 4-[(2-butyl-4-chloranyl-5-methanoyl-imidazol-2-yl)methyl]-2-(phenylsulfonyl)piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[(2-butyl-4-chloranyl-5-methanoyl-imidazol-2-yl)methyl]-2-(phenylsulfonyl)piperidine-1-carboxylate Openeye Name: tert-butyl 2-(benzenesulfonyl)-4-[(2-butyl-4-chloro-5-formyl-imidazol-2-yl)methyl]piperidine-1-carboxylate CAS Name: 2-(benzenesulfonyl)-4-[(2-butyl-4-chloro-5-formyl-2-imidazolyl)methyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-(benzenesulfonyl)-4-[(2-butyl-4-chloro-5-formylimidazol-2-yl)methyl]piperidine-1-carboxylate Traditional Name: 2-besyl-4-[(2-butyl-4-chloro-5-formyl-imidazol-2-yl)methyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C25H34ClN3O5S MolecularWeight: 524.07256

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(N=C(C(=N1)Cl)C=O)CC2CCN(C(C2)S(=O)(=O)C3=CC=CC=C3)C(=O)OC(C)(C)C

Isomeric SMILES

CCCCC1(N=C(C(=N1)Cl)C=O)CC2CCN(C(C2)S(=O)(=O)C3=CC=CC=C3)C(=O)OC(C)(C)C

InChI

InChI=1S/C25H34ClN3O5S/c1-5-6-13-25(27-20(17-30)22(26)28-25)16-18-12-14-29(23(31)34-24(2,3)4)21(15-18)35(32,33)19-10-8-7-9-11-19/h7-11,17-18,21H,5-6,12-16H2,1-4H3