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

Systemtic Name: (6-methylimidazo[1,2-a]pyridin-2-yl)methyl 4-(azepan-1-ylsulfonyl)benzoate Openeye Name: (6-methylimidazo[1,2-a]pyridin-2-yl)methyl 4-(azepan-1-ylsulfonyl)benzoate CAS Name: 4-(1-azepanylsulfonyl)benzoic acid (6-methyl-2-imidazo[1,2-a]pyridinyl)methyl ester IUPAC Name: (6-methylimidazo[1,2-a]pyridin-2-yl)methyl 4-(azepan-1-ylsulfonyl)benzoate Traditional Name: 4-(azepan-1-ylsulfonyl)benzoic acid (6-methylimidazo[1,2-a]pyridin-2-yl)methyl ester Formula: C22H25N3O4S MolecularWeight: 427.5166

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN2C=C(N=C2C=C1)COC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC1=CN2C=C(N=C2C=C1)COC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C22H25N3O4S/c1-17-6-11-21-23-19(15-24(21)14-17)16-29-22(26)18-7-9-20(10-8-18)30(27,28)25-12-4-2-3-5-13-25/h6-11,14-15H,2-5,12-13,16H2,1H3