tert-butyl 4-[(2-butyl-4-chloranyl-5-methanoyl-imidazol-2-yl)methyl]-2-(3-chlorophenyl)sulfonyl-piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[(2-butyl-4-chloranyl-5-methanoyl-imidazol-2-yl)methyl]-2-(3-chlorophenyl)sulfonyl-piperidine-1-carboxylate Openeye Name: tert-butyl 4-[(2-butyl-4-chloro-5-formyl-imidazol-2-yl)methyl]-2-(3-chlorophenyl)sulfonyl-piperidine-1-carboxylate CAS Name: 4-[(2-butyl-4-chloro-5-formyl-2-imidazolyl)methyl]-2-(3-chlorophenyl)sulfonyl-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(2-butyl-4-chloro-5-formylimidazol-2-yl)methyl]-2-(3-chlorophenyl)sulfonylpiperidine-1-carboxylate Traditional Name: 4-[(2-butyl-4-chloro-5-formyl-imidazol-2-yl)methyl]-2-(3-chlorophenyl)sulfonyl-piperidine-1-carboxylic acid tert-butyl ester Formula: C25H33Cl2N3O5S MolecularWeight: 558.51762

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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)Cl)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)Cl)C(=O)OC(C)(C)C

InChI

InChI=1S/C25H33Cl2N3O5S/c1-5-6-11-25(28-20(16-31)22(27)29-25)15-17-10-12-30(23(32)35-24(2,3)4)21(13-17)36(33,34)19-9-7-8-18(26)14-19/h7-9,14,16-17,21H,5-6,10-13,15H2,1-4H3