[3-[7-methyl-3-[(phenylmethyl)amino]imidazo[1,2-a]pyridin-2-yl]phenyl] 4-tert-butylbenzenesulfonate

Systemtic Name: [3-[7-methyl-3-[(phenylmethyl)amino]imidazo[1,2-a]pyridin-2-yl]phenyl] 4-tert-butylbenzenesulfonate Openeye Name: [3-[3-(benzylamino)-7-methyl-imidazo[1,2-a]pyridin-2-yl]phenyl] 4-tert-butylbenzenesulfonate CAS Name: 4-tert-butylbenzenesulfonic acid [3-[7-methyl-3-[(phenylmethyl)amino]-2-imidazo[1,2-a]pyridinyl]phenyl] ester IUPAC Name: [3-[3-(benzylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]phenyl] 4-tert-butylbenzenesulfonate Traditional Name: 4-tert-butylbenzenesulfonic acid [3-[3-(benzylamino)-7-methyl-imidazo[1,2-a]pyridin-2-yl]phenyl] ester Formula: C31H31N3O3S MolecularWeight: 525.66114

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=NC(=C(N2C=C1)NCC3=CC=CC=C3)C4=CC(=CC=C4)OS(=O)(=O)C5=CC=C(C=C5)C(C)(C)C

Isomeric SMILES

CC1=CC2=NC(=C(N2C=C1)NCC3=CC=CC=C3)C4=CC(=CC=C4)OS(=O)(=O)C5=CC=C(C=C5)C(C)(C)C

InChI

InChI=1S/C31H31N3O3S/c1-22-17-18-34-28(19-22)33-29(30(34)32-21-23-9-6-5-7-10-23)24-11-8-12-26(20-24)37-38(35,36)27-15-13-25(14-16-27)31(2,3)4/h5-20,32H,21H2,1-4H3