(6-chloranylimidazo[1,2-a]pyridin-2-yl)methyl 3-[(4-methylphenyl)sulfonylamino]propanoate

Systemtic Name: (6-chloranylimidazo[1,2-a]pyridin-2-yl)methyl 3-[(4-methylphenyl)sulfonylamino]propanoate Openeye Name: (6-chloroimidazo[1,2-a]pyridin-2-yl)methyl 3-(p-tolylsulfonylamino)propanoate CAS Name: 3-[(4-methylphenyl)sulfonylamino]propanoic acid (6-chloro-2-imidazo[1,2-a]pyridinyl)methyl ester IUPAC Name: (6-chloroimidazo[1,2-a]pyridin-2-yl)methyl 3-[(4-methylphenyl)sulfonylamino]propanoate Traditional Name: 3-(tosylamino)propionic acid (6-chloroimidazo[1,2-a]pyridin-2-yl)methyl ester Formula: C18H18ClN3O4S MolecularWeight: 407.87122

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)OCC2=CN3C=C(C=CC3=N2)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)OCC2=CN3C=C(C=CC3=N2)Cl

InChI

InChI=1S/C18H18ClN3O4S/c1-13-2-5-16(6-3-13)27(24,25)20-9-8-18(23)26-12-15-11-22-10-14(19)4-7-17(22)21-15/h2-7,10-11,20H,8-9,12H2,1H3