[(2R)-1-(cyclohexylmethylamino)-1-oxidanylidene-propan-2-yl] 1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxylate

Systemtic Name: [(2R)-1-(cyclohexylmethylamino)-1-oxidanylidene-propan-2-yl] 1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxylate Openeye Name: [(1R)-2-(cyclohexylmethylamino)-1-methyl-2-oxo-ethyl] 1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxylate CAS Name: 1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxylic acid [(2R)-1-(cyclohexylmethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(cyclohexylmethylamino)-1-oxopropan-2-yl] 1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxylate Traditional Name: 1-mesyl-3,4-dihydro-2H-quinoline-6-carboxylic acid [(1R)-2-(cyclohexylmethylamino)-2-keto-1-methyl-ethyl] ester Formula: C21H30N2O5S MolecularWeight: 422.5383

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1CCCCC1)OC(=O)C2=CC3=C(C=C2)N(CCC3)S(=O)(=O)C

Isomeric SMILES

C[C@H](C(=O)NCC1CCCCC1)OC(=O)C2=CC3=C(C=C2)N(CCC3)S(=O)(=O)C

InChI

InChI=1S/C21H30N2O5S/c1-15(20(24)22-14-16-7-4-3-5-8-16)28-21(25)18-10-11-19-17(13-18)9-6-12-23(19)29(2,26)27/h10-11,13,15-16H,3-9,12,14H2,1-2H3,(H,22,24)/t15-/m1/s1