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

Systemtic Name: [2-[3-(cyclohexylamino)-7-methyl-imidazo[1,2-a]pyridin-2-yl]phenyl] naphthalene-2-sulfonate Openeye Name: [2-[3-(cyclohexylamino)-7-methyl-imidazo[1,2-a]pyridin-2-yl]phenyl] naphthalene-2-sulfonate CAS Name: 2-naphthalenesulfonic acid [2-[3-(cyclohexylamino)-7-methyl-2-imidazo[1,2-a]pyridinyl]phenyl] ester IUPAC Name: [2-[3-(cyclohexylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]phenyl] naphthalene-2-sulfonate Traditional Name: naphthalene-2-sulfonic acid [2-[3-(cyclohexylamino)-7-methyl-imidazo[1,2-a]pyridin-2-yl]phenyl] ester Formula: C30H29N3O3S MolecularWeight: 511.63456

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=NC(=C(N2C=C1)NC3CCCCC3)C4=CC=CC=C4OS(=O)(=O)C5=CC6=CC=CC=C6C=C5

Isomeric SMILES

CC1=CC2=NC(=C(N2C=C1)NC3CCCCC3)C4=CC=CC=C4OS(=O)(=O)C5=CC6=CC=CC=C6C=C5

InChI

InChI=1S/C30H29N3O3S/c1-21-17-18-33-28(19-21)32-29(30(33)31-24-11-3-2-4-12-24)26-13-7-8-14-27(26)36-37(34,35)25-16-15-22-9-5-6-10-23(22)20-25/h5-10,13-20,24,31H,2-4,11-12H2,1H3