[2-[6-bromanyl-3-[(phenylmethyl)amino]imidazo[1,2-a]pyridin-2-yl]phenyl] 4-chloranyl-3-nitro-benzenesulfonate

Systemtic Name: [2-[6-bromanyl-3-[(phenylmethyl)amino]imidazo[1,2-a]pyridin-2-yl]phenyl] 4-chloranyl-3-nitro-benzenesulfonate Openeye Name: [2-[3-(benzylamino)-6-bromo-imidazo[1,2-a]pyridin-2-yl]phenyl] 4-chloro-3-nitro-benzenesulfonate CAS Name: 4-chloro-3-nitrobenzenesulfonic acid [2-[6-bromo-3-[(phenylmethyl)amino]-2-imidazo[1,2-a]pyridinyl]phenyl] ester IUPAC Name: [2-[3-(benzylamino)-6-bromoimidazo[1,2-a]pyridin-2-yl]phenyl] 4-chloro-3-nitrobenzenesulfonate Traditional Name: 4-chloro-3-nitro-benzenesulfonic acid [2-[3-(benzylamino)-6-bromo-imidazo[1,2-a]pyridin-2-yl]phenyl] ester Formula: C26H18BrClN4O5S MolecularWeight: 613.86692

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=C(N=C3N2C=C(C=C3)Br)C4=CC=CC=C4OS(=O)(=O)C5=CC(=C(C=C5)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CNC2=C(N=C3N2C=C(C=C3)Br)C4=CC=CC=C4OS(=O)(=O)C5=CC(=C(C=C5)Cl)[N+](=O)[O-]

InChI

InChI=1S/C26H18BrClN4O5S/c27-18-10-13-24-30-25(26(31(24)16-18)29-15-17-6-2-1-3-7-17)20-8-4-5-9-23(20)37-38(35,36)19-11-12-21(28)22(14-19)32(33)34/h1-14,16,29H,15H2