(5-chloranyl-1-methyl-imidazol-2-yl)methyl 4-piperidin-1-yl-3-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: (5-chloranyl-1-methyl-imidazol-2-yl)methyl 4-piperidin-1-yl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: (5-chloro-1-methyl-imidazol-2-yl)methyl 4-(1-piperidyl)-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-(1-piperidinyl)-3-(1-piperidinylsulfonyl)benzoic acid (5-chloro-1-methyl-2-imidazolyl)methyl ester IUPAC Name: (5-chloro-1-methylimidazol-2-yl)methyl 4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-piperidino-3-piperidinosulfonyl-benzoic acid (5-chloro-1-methyl-imidazol-2-yl)methyl ester Formula: C22H29ClN4O4S MolecularWeight: 481.00806

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CN=C1COC(=O)C2=CC(=C(C=C2)N3CCCCC3)S(=O)(=O)N4CCCCC4)Cl

Isomeric SMILES

CN1C(=CN=C1COC(=O)C2=CC(=C(C=C2)N3CCCCC3)S(=O)(=O)N4CCCCC4)Cl

InChI

InChI=1S/C22H29ClN4O4S/c1-25-20(23)15-24-21(25)16-31-22(28)17-8-9-18(26-10-4-2-5-11-26)19(14-17)32(29,30)27-12-6-3-7-13-27/h8-9,14-15H,2-7,10-13,16H2,1H3