(1-ethyl-5-piperidin-1-ylsulfonyl-benzimidazol-2-yl)methyl 6-oxidanylidene-1-propyl-pyridazine-3-carboxylate

Systemtic Name: (1-ethyl-5-piperidin-1-ylsulfonyl-benzimidazol-2-yl)methyl 6-oxidanylidene-1-propyl-pyridazine-3-carboxylate Openeye Name: [1-ethyl-5-(1-piperidylsulfonyl)benzimidazol-2-yl]methyl 6-oxo-1-propyl-pyridazine-3-carboxylate CAS Name: 6-oxo-1-propyl-3-pyridazinecarboxylic acid [1-ethyl-5-(1-piperidinylsulfonyl)-2-benzimidazolyl]methyl ester IUPAC Name: (1-ethyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)methyl 6-oxo-1-propylpyridazine-3-carboxylate Traditional Name: 6-keto-1-propyl-pyridazine-3-carboxylic acid (1-ethyl-5-piperidinosulfonyl-benzimidazol-2-yl)methyl ester Formula: C23H29N5O5S MolecularWeight: 487.57186

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C=CC(=N1)C(=O)OCC2=NC3=C(N2CC)C=CC(=C3)S(=O)(=O)N4CCCCC4

Isomeric SMILES

CCCN1C(=O)C=CC(=N1)C(=O)OCC2=NC3=C(N2CC)C=CC(=C3)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C23H29N5O5S/c1-3-12-28-22(29)11-9-18(25-28)23(30)33-16-21-24-19-15-17(8-10-20(19)27(21)4-2)34(31,32)26-13-6-5-7-14-26/h8-11,15H,3-7,12-14,16H2,1-2H3