2-[(2R,5S)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]ethyl 4-methylbenzenesulfonate

Systemtic Name: 2-[(2R,5S)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]ethyl 4-methylbenzenesulfonate Openeye Name: 2-[(2R,5S)-5-isopropyl-3,6-dimethoxy-2,5-dihydropyrazin-2-yl]ethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 2-[(2R,5S)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]ethyl ester IUPAC Name: 2-[(2R,5S)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]ethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 2-[(2R,5S)-5-isopropyl-3,6-dimethoxy-2,5-dihydropyrazin-2-yl]ethyl ester Formula: C18H26N2O5S MolecularWeight: 382.47444

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCC2C(=NC(C(=N2)OC)C(C)C)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC[C@@H]2C(=N[C@H](C(=N2)OC)C(C)C)OC

InChI

InChI=1S/C18H26N2O5S/c1-12(2)16-18(24-5)19-15(17(20-16)23-4)10-11-25-26(21,22)14-8-6-13(3)7-9-14/h6-9,12,15-16H,10-11H2,1-5H3/t15-,16+/m1/s1