[3-[3-(tert-butylamino)-7-methyl-imidazo[1,2-a]pyridin-2-yl]phenyl] naphthalene-1-sulfonate

Systemtic Name: [3-[3-(tert-butylamino)-7-methyl-imidazo[1,2-a]pyridin-2-yl]phenyl] naphthalene-1-sulfonate Openeye Name: [3-[3-(tert-butylamino)-7-methyl-imidazo[1,2-a]pyridin-2-yl]phenyl] naphthalene-1-sulfonate CAS Name: 1-naphthalenesulfonic acid [3-[3-(tert-butylamino)-7-methyl-2-imidazo[1,2-a]pyridinyl]phenyl] ester IUPAC Name: [3-[3-(tert-butylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]phenyl] naphthalene-1-sulfonate Traditional Name: naphthalene-1-sulfonic acid [3-[3-(tert-butylamino)-7-methyl-imidazo[1,2-a]pyridin-2-yl]phenyl] ester Formula: C28H27N3O3S MolecularWeight: 485.59728

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=NC(=C(N2C=C1)NC(C)(C)C)C3=CC(=CC=C3)OS(=O)(=O)C4=CC=CC5=CC=CC=C54

Isomeric SMILES

CC1=CC2=NC(=C(N2C=C1)NC(C)(C)C)C3=CC(=CC=C3)OS(=O)(=O)C4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C28H27N3O3S/c1-19-15-16-31-25(17-19)29-26(27(31)30-28(2,3)4)21-11-7-12-22(18-21)34-35(32,33)24-14-8-10-20-9-5-6-13-23(20)24/h5-18,30H,1-4H3