[4-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] butane-1-sulfonate

Systemtic Name: [4-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] butane-1-sulfonate Openeye Name: [4-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] butane-1-sulfonate CAS Name: 1-butanesulfonic acid IUPAC Name: [4-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] butane-1-sulfonate Traditional Name: butane-1-sulfonic acid [4-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] ester Formula: C23H29N3O3S MolecularWeight: 427.55966

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)OC1=CC=C(C=C1)C2=C(N3C=CC=CC3=N2)NC4CCCCC4

Isomeric SMILES

CCCCS(=O)(=O)OC1=CC=C(C=C1)C2=C(N3C=CC=CC3=N2)NC4CCCCC4

InChI

InChI=1S/C23H29N3O3S/c1-2-3-17-30(27,28)29-20-14-12-18(13-15-20)22-23(24-19-9-5-4-6-10-19)26-16-8-7-11-21(26)25-22/h7-8,11-16,19,24H,2-6,9-10,17H2,1H3