[2-[(4-chlorophenyl)methyl]-4-methyl-6-oxidanylidene-pyridin-1-yl] 3-chloranyl-4-methoxy-benzenesulfonate

Systemtic Name: [2-[(4-chlorophenyl)methyl]-4-methyl-6-oxidanylidene-pyridin-1-yl] 3-chloranyl-4-methoxy-benzenesulfonate Openeye Name: [2-[(4-chlorophenyl)methyl]-4-methyl-6-oxo-1-pyridyl] 3-chloro-4-methoxy-benzenesulfonate CAS Name: 3-chloro-4-methoxybenzenesulfonic acid [2-[(4-chlorophenyl)methyl]-4-methyl-6-oxo-1-pyridinyl] ester IUPAC Name: [2-[(4-chlorophenyl)methyl]-4-methyl-6-oxopyridin-1-yl] 3-chloro-4-methoxybenzenesulfonate Traditional Name: 3-chloro-4-methoxy-benzenesulfonic acid [2-(4-chlorobenzyl)-6-keto-4-methyl-1-pyridyl] ester Formula: C20H17Cl2NO5S MolecularWeight: 454.32368

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N(C(=C1)CC2=CC=C(C=C2)Cl)OS(=O)(=O)C3=CC(=C(C=C3)OC)Cl

Isomeric SMILES

CC1=CC(=O)N(C(=C1)CC2=CC=C(C=C2)Cl)OS(=O)(=O)C3=CC(=C(C=C3)OC)Cl

InChI

InChI=1S/C20H17Cl2NO5S/c1-13-9-16(11-14-3-5-15(21)6-4-14)23(20(24)10-13)28-29(25,26)17-7-8-19(27-2)18(22)12-17/h3-10,12H,11H2,1-2H3