(6-chloranylimidazo[1,2-a]pyridin-2-yl)methyl 4-(azepan-1-ylsulfonyl)benzoate

Systemtic Name: (6-chloranylimidazo[1,2-a]pyridin-2-yl)methyl 4-(azepan-1-ylsulfonyl)benzoate Openeye Name: (6-chloroimidazo[1,2-a]pyridin-2-yl)methyl 4-(azepan-1-ylsulfonyl)benzoate CAS Name: 4-(1-azepanylsulfonyl)benzoic acid (6-chloro-2-imidazo[1,2-a]pyridinyl)methyl ester IUPAC Name: (6-chloroimidazo[1,2-a]pyridin-2-yl)methyl 4-(azepan-1-ylsulfonyl)benzoate Traditional Name: 4-(azepan-1-ylsulfonyl)benzoic acid (6-chloroimidazo[1,2-a]pyridin-2-yl)methyl ester Formula: C21H22ClN3O4S MolecularWeight: 447.93508

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC3=CN4C=C(C=CC4=N3)Cl

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC3=CN4C=C(C=CC4=N3)Cl

InChI

InChI=1S/C21H22ClN3O4S/c22-17-7-10-20-23-18(14-24(20)13-17)15-29-21(26)16-5-8-19(9-6-16)30(27,28)25-11-3-1-2-4-12-25/h5-10,13-14H,1-4,11-12,15H2