3-imidazo[4,5-b]pyridin-3-yl-2-methyl-4-(pentanoylamino)-6-phenyl-benzenesulfinate

Systemtic Name: 3-imidazo[4,5-b]pyridin-3-yl-2-methyl-4-(pentanoylamino)-6-phenyl-benzenesulfinate Openeye Name: 3-imidazo[4,5-b]pyridin-3-yl-2-methyl-4-(pentanoylamino)-6-phenyl-benzenesulfinate CAS Name: 3-(3-imidazo[4,5-b]pyridinyl)-2-methyl-4-(1-oxopentylamino)-6-phenylbenzenesulfinate IUPAC Name: 3-imidazo[4,5-b]pyridin-3-yl-2-methyl-4-(pentanoylamino)-6-phenylbenzenesulfinate Traditional Name: 3-imidazo[4,5-b]pyridin-3-yl-2-methyl-6-phenyl-4-(valerylamino)benzenesulfinate Formula: C24H23N4O3S- MolecularWeight: 447.52942

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC1=C(C(=C(C(=C1)C2=CC=CC=C2)S(=O)[O-])C)N3C=NC4=C3N=CC=C4

Isomeric SMILES

CCCCC(=O)NC1=C(C(=C(C(=C1)C2=CC=CC=C2)S(=O)[O-])C)N3C=NC4=C3N=CC=C4

InChI

InChI=1S/C24H24N4O3S/c1-3-4-12-21(29)27-20-14-18(17-9-6-5-7-10-17)23(32(30)31)16(2)22(20)28-15-26-19-11-8-13-25-24(19)28/h5-11,13-15H,3-4,12H2,1-2H3,(H,27,29)(H,30,31)/p-1