imidazo[1,2-a]pyridin-2-ylmethyl 3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoate

Systemtic Name: imidazo[1,2-a]pyridin-2-ylmethyl 3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoate Openeye Name: imidazo[1,2-a]pyridin-2-ylmethyl 3-[[(2S)-2-methyl-1-piperidyl]sulfonyl]benzoate CAS Name: 3-[[(2S)-2-methyl-1-piperidinyl]sulfonyl]benzoic acid 2-imidazo[1,2-a]pyridinylmethyl ester IUPAC Name: imidazo[1,2-a]pyridin-2-ylmethyl 3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoate Traditional Name: 3-[(2S)-2-methylpiperidino]sulfonylbenzoic acid imidazo[1,2-a]pyridin-2-ylmethyl ester Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC3=CN4C=CC=CC4=N3

Isomeric SMILES

C[C@H]1CCCCN1S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC3=CN4C=CC=CC4=N3

InChI

InChI=1S/C21H23N3O4S/c1-16-7-2-5-12-24(16)29(26,27)19-9-6-8-17(13-19)21(25)28-15-18-14-23-11-4-3-10-20(23)22-18/h3-4,6,8-11,13-14,16H,2,5,7,12,15H2,1H3/t16-/m0/s1