(8-methylimidazo[1,2-a]pyridin-2-yl)methyl 2-chloranyl-5-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: (8-methylimidazo[1,2-a]pyridin-2-yl)methyl 2-chloranyl-5-piperidin-1-ylsulfonyl-benzoate Openeye Name: (8-methylimidazo[1,2-a]pyridin-2-yl)methyl 2-chloro-5-(1-piperidylsulfonyl)benzoate CAS Name: 2-chloro-5-(1-piperidinylsulfonyl)benzoic acid (8-methyl-2-imidazo[1,2-a]pyridinyl)methyl ester IUPAC Name: (8-methylimidazo[1,2-a]pyridin-2-yl)methyl 2-chloro-5-piperidin-1-ylsulfonylbenzoate Traditional Name: 2-chloro-5-piperidinosulfonyl-benzoic acid (8-methylimidazo[1,2-a]pyridin-2-yl)methyl ester Formula: C21H22ClN3O4S MolecularWeight: 447.93508

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CN2C1=NC(=C2)COC(=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCCCC4)Cl

Isomeric SMILES

CC1=CC=CN2C1=NC(=C2)COC(=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCCCC4)Cl

InChI

InChI=1S/C21H22ClN3O4S/c1-15-6-5-9-24-13-16(23-20(15)24)14-29-21(26)18-12-17(7-8-19(18)22)30(27,28)25-10-3-2-4-11-25/h5-9,12-13H,2-4,10-11,14H2,1H3