imidazo[1,2-a]pyridin-2-ylmethyl 2-methyl-5-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: imidazo[1,2-a]pyridin-2-ylmethyl 2-methyl-5-piperidin-1-ylsulfonyl-benzoate Openeye Name: imidazo[1,2-a]pyridin-2-ylmethyl 2-methyl-5-(1-piperidylsulfonyl)benzoate CAS Name: 2-methyl-5-(1-piperidinylsulfonyl)benzoic acid 2-imidazo[1,2-a]pyridinylmethyl ester IUPAC Name: imidazo[1,2-a]pyridin-2-ylmethyl 2-methyl-5-piperidin-1-ylsulfonylbenzoate Traditional Name: 2-methyl-5-piperidinosulfonyl-benzoic acid imidazo[1,2-a]pyridin-2-ylmethyl ester Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)C(=O)OCC3=CN4C=CC=CC4=N3

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)C(=O)OCC3=CN4C=CC=CC4=N3

InChI

InChI=1S/C21H23N3O4S/c1-16-8-9-18(29(26,27)24-11-4-2-5-12-24)13-19(16)21(25)28-15-17-14-23-10-6-3-7-20(23)22-17/h3,6-10,13-14H,2,4-5,11-12,15H2,1H3