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

Systemtic Name: [2-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] 4-nitrobenzenesulfonate Openeye Name: [2-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] 4-nitrobenzenesulfonate CAS Name: 4-nitrobenzenesulfonic acid [2-[3-(cyclohexylamino)-2-imidazo[1,2-a]pyridinyl]phenyl] ester IUPAC Name: [2-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] 4-nitrobenzenesulfonate Traditional Name: 4-nitrobenzenesulfonic acid [2-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] ester Formula: C25H24N4O5S MolecularWeight: 492.54686

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC2=C(N=C3N2C=CC=C3)C4=CC=CC=C4OS(=O)(=O)C5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1CCC(CC1)NC2=C(N=C3N2C=CC=C3)C4=CC=CC=C4OS(=O)(=O)C5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C25H24N4O5S/c30-29(31)19-13-15-20(16-14-19)35(32,33)34-22-11-5-4-10-21(22)24-25(26-18-8-2-1-3-9-18)28-17-7-6-12-23(28)27-24/h4-7,10-18,26H,1-3,8-9H2