methyl 2-[[4-[3-methyl-4-(3-methylsulfanylphenyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]ethanoate

Systemtic Name: methyl 2-[[4-[3-methyl-4-(3-methylsulfanylphenyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]ethanoate Openeye Name: methyl 2-[[4-[3-methyl-4-(3-methylsulfanylphenyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]acetate CAS Name: 2-[[4-[3-methyl-4-[3-(methylthio)phenyl]phenyl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]acetic acid methyl ester IUPAC Name: methyl 2-[[4-[3-methyl-4-(3-methylsulfanylphenyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]acetate Traditional Name: 2-[[4-[3-methyl-4-[3-(methylthio)phenyl]phenyl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]acetic acid methyl ester Formula: C22H25NO4S2 MolecularWeight: 431.5682

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2=CCN(CC2)S(=O)(=O)CC(=O)OC)C3=CC(=CC=C3)SC

Isomeric SMILES

CC1=C(C=CC(=C1)C2=CCN(CC2)S(=O)(=O)CC(=O)OC)C3=CC(=CC=C3)SC

InChI

InChI=1S/C22H25NO4S2/c1-16-13-18(7-8-21(16)19-5-4-6-20(14-19)28-3)17-9-11-23(12-10-17)29(25,26)15-22(24)27-2/h4-9,13-14H,10-12,15H2,1-3H3