[2-[3-(cyclohexylamino)-7-methyl-imidazo[1,2-a]pyridin-2-yl]phenyl] 4-acetamidobenzenesulfonate

Systemtic Name: [2-[3-(cyclohexylamino)-7-methyl-imidazo[1,2-a]pyridin-2-yl]phenyl] 4-acetamidobenzenesulfonate Openeye Name: [2-[3-(cyclohexylamino)-7-methyl-imidazo[1,2-a]pyridin-2-yl]phenyl] 4-acetamidobenzenesulfonate CAS Name: 4-acetamidobenzenesulfonic 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] 4-acetamidobenzenesulfonate Traditional Name: 4-acetamidobenzenesulfonic acid [2-[3-(cyclohexylamino)-7-methyl-imidazo[1,2-a]pyridin-2-yl]phenyl] ester Formula: C28H30N4O4S MolecularWeight: 518.6272

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H30N4O4S/c1-19-16-17-32-26(18-19)31-27(28(32)30-21-8-4-3-5-9-21)24-10-6-7-11-25(24)36-37(34,35)23-14-12-22(13-15-23)29-20(2)33/h6-7,10-18,21,30H,3-5,8-9H2,1-2H3,(H,29,33)