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

Systemtic Name: (5-chloranyl-1-methyl-imidazol-2-yl)methyl 5-piperidin-1-ylsulfonyl-2-pyrrolidin-1-yl-benzoate Openeye Name: (5-chloro-1-methyl-imidazol-2-yl)methyl 5-(1-piperidylsulfonyl)-2-pyrrolidin-1-yl-benzoate CAS Name: 5-(1-piperidinylsulfonyl)-2-(1-pyrrolidinyl)benzoic acid (5-chloro-1-methyl-2-imidazolyl)methyl ester IUPAC Name: (5-chloro-1-methylimidazol-2-yl)methyl 5-piperidin-1-ylsulfonyl-2-pyrrolidin-1-ylbenzoate Traditional Name: 5-piperidinosulfonyl-2-pyrrolidino-benzoic acid (5-chloro-1-methyl-imidazol-2-yl)methyl ester Formula: C21H27ClN4O4S MolecularWeight: 466.98148

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CN=C1COC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)N4CCCC4)Cl

Isomeric SMILES

CN1C(=CN=C1COC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)N4CCCC4)Cl

InChI

InChI=1S/C21H27ClN4O4S/c1-24-19(22)14-23-20(24)15-30-21(27)17-13-16(7-8-18(17)25-9-5-6-10-25)31(28,29)26-11-3-2-4-12-26/h7-8,13-14H,2-6,9-12,15H2,1H3