(phenylmethyl) (3aS,7aS)-2,2-dimethyl-5-(4-methylphenyl)sulfonyl-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyridine-6-carboxylate

Systemtic Name: (phenylmethyl) (3aS,7aS)-2,2-dimethyl-5-(4-methylphenyl)sulfonyl-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyridine-6-carboxylate Openeye Name: benzyl (3aS,7aS)-2,2-dimethyl-5-(p-tolylsulfonyl)-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyridine-6-carboxylate CAS Name: (3aS,7aS)-2,2-dimethyl-5-(4-methylphenyl)sulfonyl-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyridine-6-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (3aS,7aS)-2,2-dimethyl-5-(4-methylphenyl)sulfonyl-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyridine-6-carboxylate Traditional Name: (3aS,7aS)-2,2-dimethyl-5-tosyl-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyridine-6-carboxylic acid benzyl ester Formula: C23H25NO6S MolecularWeight: 443.5127

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC3C(C=C2C(=O)OCC4=CC=CC=C4)OC(O3)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C[C@H]3[C@H](C=C2C(=O)OCC4=CC=CC=C4)OC(O3)(C)C

InChI

InChI=1S/C23H25NO6S/c1-16-9-11-18(12-10-16)31(26,27)24-14-21-20(29-23(2,3)30-21)13-19(24)22(25)28-15-17-7-5-4-6-8-17/h4-13,20-21H,14-15H2,1-3H3/t20-,21-/m0/s1