[(2S)-3-methyl-1-(4-methylphenyl)sulfonyl-2-phenyl-2H-pyridin-5-yl] ethanoate

Systemtic Name: [(2S)-3-methyl-1-(4-methylphenyl)sulfonyl-2-phenyl-2H-pyridin-5-yl] ethanoate Openeye Name: [(2S)-3-methyl-2-phenyl-1-(p-tolylsulfonyl)-2H-pyridin-5-yl] acetate CAS Name: acetic acid [(2S)-3-methyl-1-(4-methylphenyl)sulfonyl-2-phenyl-2H-pyridin-5-yl] ester IUPAC Name: [(2S)-3-methyl-1-(4-methylphenyl)sulfonyl-2-phenyl-2H-pyridin-5-yl] acetate Traditional Name: acetic acid [(2S)-3-methyl-2-phenyl-1-tosyl-2H-pyridin-5-yl] ester Formula: C21H21NO4S MolecularWeight: 383.46074

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C=C(C2C3=CC=CC=C3)C)OC(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C=C([C@H]2C3=CC=CC=C3)C)OC(=O)C

InChI

InChI=1S/C21H21NO4S/c1-15-9-11-20(12-10-15)27(24,25)22-14-19(26-17(3)23)13-16(2)21(22)18-7-5-4-6-8-18/h4-14,21H,1-3H3/t21-/m0/s1