[(3aR,4S)-4-cyano-3a-(methoxymethyl)-1,2,3,5-tetrahydropyrrolo[1,2-a]quinolin-4-yl]methyl 4-methylbenzenesulfonate

Systemtic Name: [(3aR,4S)-4-cyano-3a-(methoxymethyl)-1,2,3,5-tetrahydropyrrolo[1,2-a]quinolin-4-yl]methyl 4-methylbenzenesulfonate Openeye Name: [(3aR,4S)-4-cyano-3a-(methoxymethyl)-1,2,3,5-tetrahydropyrrolo[1,2-a]quinolin-4-yl]methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(3aR,4S)-4-cyano-3a-(methoxymethyl)-1,2,3,5-tetrahydropyrrolo[1,2-a]quinolin-4-yl]methyl ester IUPAC Name: [(3aR,4S)-4-cyano-3a-(methoxymethyl)-1,2,3,5-tetrahydropyrrolo[1,2-a]quinolin-4-yl]methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(3aR,4S)-4-cyano-3a-(methoxymethyl)-1,2,3,5-tetrahydropyrrolo[1,2-a]quinolin-4-yl]methyl ester Formula: C23H26N2O4S MolecularWeight: 426.52854

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC2(CC3=CC=CC=C3N4C2(CCC4)COC)C#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC[C@]2(CC3=CC=CC=C3N4[C@@]2(CCC4)COC)C#N

InChI

InChI=1S/C23H26N2O4S/c1-18-8-10-20(11-9-18)30(26,27)29-16-22(15-24)14-19-6-3-4-7-21(19)25-13-5-12-23(22,25)17-28-2/h3-4,6-11H,5,12-14,16-17H2,1-2H3/t22-,23-/m0/s1