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

Systemtic Name: [3-[7-methyl-3-[(phenylmethyl)amino]imidazo[1,2-a]pyridin-2-yl]phenyl] naphthalene-1-sulfonate Openeye Name: [3-[3-(benzylamino)-7-methyl-imidazo[1,2-a]pyridin-2-yl]phenyl] naphthalene-1-sulfonate CAS Name: 1-naphthalenesulfonic 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] naphthalene-1-sulfonate Traditional Name: naphthalene-1-sulfonic acid [3-[3-(benzylamino)-7-methyl-imidazo[1,2-a]pyridin-2-yl]phenyl] ester Formula: C31H25N3O3S MolecularWeight: 519.6135

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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=CC6=CC=CC=C65

Isomeric SMILES

CC1=CC2=NC(=C(N2C=C1)NCC3=CC=CC=C3)C4=CC(=CC=C4)OS(=O)(=O)C5=CC=CC6=CC=CC=C65

InChI

InChI=1S/C31H25N3O3S/c1-22-17-18-34-29(19-22)33-30(31(34)32-21-23-9-3-2-4-10-23)25-13-7-14-26(20-25)37-38(35,36)28-16-8-12-24-11-5-6-15-27(24)28/h2-20,32H,21H2,1H3