[3-[6-bromanyl-3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] naphthalene-1-sulfonate

Systemtic Name: [3-[6-bromanyl-3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] naphthalene-1-sulfonate Openeye Name: [3-[6-bromo-3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] naphthalene-1-sulfonate CAS Name: 1-naphthalenesulfonic acid [3-[6-bromo-3-(cyclohexylamino)-2-imidazo[1,2-a]pyridinyl]phenyl] ester IUPAC Name: [3-[6-bromo-3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] naphthalene-1-sulfonate Traditional Name: naphthalene-1-sulfonic acid [3-[6-bromo-3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] ester Formula: C29H26BrN3O3S MolecularWeight: 576.50404

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC2=C(N=C3N2C=C(C=C3)Br)C4=CC(=CC=C4)OS(=O)(=O)C5=CC=CC6=CC=CC=C65

Isomeric SMILES

C1CCC(CC1)NC2=C(N=C3N2C=C(C=C3)Br)C4=CC(=CC=C4)OS(=O)(=O)C5=CC=CC6=CC=CC=C65

InChI

InChI=1S/C29H26BrN3O3S/c30-22-16-17-27-32-28(29(33(27)19-22)31-23-11-2-1-3-12-23)21-10-6-13-24(18-21)36-37(34,35)26-15-7-9-20-8-4-5-14-25(20)26/h4-10,13-19,23,31H,1-3,11-12H2