[3-[3-(tert-butylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] 4-nitrobenzenesulfonate

Systemtic Name: [3-[3-(tert-butylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] 4-nitrobenzenesulfonate Openeye Name: [3-[3-(tert-butylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] 4-nitrobenzenesulfonate CAS Name: 4-nitrobenzenesulfonic acid [3-[3-(tert-butylamino)-2-imidazo[1,2-a]pyridinyl]phenyl] ester IUPAC Name: [3-[3-(tert-butylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] 4-nitrobenzenesulfonate Traditional Name: 4-nitrobenzenesulfonic acid [3-[3-(tert-butylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] ester Formula: C23H22N4O5S MolecularWeight: 466.50958

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC1=C(N=C2N1C=CC=C2)C3=CC(=CC=C3)OS(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)NC1=C(N=C2N1C=CC=C2)C3=CC(=CC=C3)OS(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H22N4O5S/c1-23(2,3)25-22-21(24-20-9-4-5-14-26(20)22)16-7-6-8-18(15-16)32-33(30,31)19-12-10-17(11-13-19)27(28)29/h4-15,25H,1-3H3