[4-[6-bromanyl-3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]-2-methoxy-phenyl] naphthalene-2-sulfonate

Systemtic Name: [4-[6-bromanyl-3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]-2-methoxy-phenyl] naphthalene-2-sulfonate Openeye Name: [4-[6-bromo-3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]-2-methoxy-phenyl] naphthalene-2-sulfonate CAS Name: 2-naphthalenesulfonic acid [4-[6-bromo-3-(cyclohexylamino)-2-imidazo[1,2-a]pyridinyl]-2-methoxyphenyl] ester IUPAC Name: [4-[6-bromo-3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]-2-methoxyphenyl] naphthalene-2-sulfonate Traditional Name: naphthalene-2-sulfonic acid [4-[6-bromo-3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]-2-methoxy-phenyl] ester Formula: C30H28BrN3O4S MolecularWeight: 606.53002

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2=C(N3C=C(C=CC3=N2)Br)NC4CCCCC4)OS(=O)(=O)C5=CC6=CC=CC=C6C=C5

Isomeric SMILES

COC1=C(C=CC(=C1)C2=C(N3C=C(C=CC3=N2)Br)NC4CCCCC4)OS(=O)(=O)C5=CC6=CC=CC=C6C=C5

InChI

InChI=1S/C30H28BrN3O4S/c1-37-27-18-22(12-15-26(27)38-39(35,36)25-14-11-20-7-5-6-8-21(20)17-25)29-30(32-24-9-3-2-4-10-24)34-19-23(31)13-16-28(34)33-29/h5-8,11-19,24,32H,2-4,9-10H2,1H3