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

Systemtic Name: [3-[3-(tert-butylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] naphthalene-1-sulfonate Openeye Name: [3-[3-(tert-butylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] naphthalene-1-sulfonate CAS Name: 1-naphthalenesulfonic 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] naphthalene-1-sulfonate Traditional Name: naphthalene-1-sulfonic acid [3-[3-(tert-butylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] ester Formula: C27H25N3O3S MolecularWeight: 471.5707

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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=CC5=CC=CC=C54

Isomeric SMILES

CC(C)(C)NC1=C(N=C2N1C=CC=C2)C3=CC(=CC=C3)OS(=O)(=O)C4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C27H25N3O3S/c1-27(2,3)29-26-25(28-24-16-6-7-17-30(24)26)20-12-8-13-21(18-20)33-34(31,32)23-15-9-11-19-10-4-5-14-22(19)23/h4-18,29H,1-3H3