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

Systemtic Name: (8-methylimidazo[1,2-a]pyridin-2-yl)methyl 5-(azepan-1-ylsulfonyl)-2-methoxy-benzoate Openeye Name: (8-methylimidazo[1,2-a]pyridin-2-yl)methyl 5-(azepan-1-ylsulfonyl)-2-methoxy-benzoate CAS Name: 5-(1-azepanylsulfonyl)-2-methoxybenzoic acid (8-methyl-2-imidazo[1,2-a]pyridinyl)methyl ester IUPAC Name: (8-methylimidazo[1,2-a]pyridin-2-yl)methyl 5-(azepan-1-ylsulfonyl)-2-methoxybenzoate Traditional Name: 5-(azepan-1-ylsulfonyl)-2-methoxy-benzoic acid (8-methylimidazo[1,2-a]pyridin-2-yl)methyl ester Formula: C23H27N3O5S MolecularWeight: 457.54258

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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)N4CCCCCC4)OC

Isomeric SMILES

CC1=CC=CN2C1=NC(=C2)COC(=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCCCCC4)OC

InChI

InChI=1S/C23H27N3O5S/c1-17-8-7-11-25-15-18(24-22(17)25)16-31-23(27)20-14-19(9-10-21(20)30-2)32(28,29)26-12-5-3-4-6-13-26/h7-11,14-15H,3-6,12-13,16H2,1-2H3