ethyl 2-(chloromethyl)-5-cyano-6-methyl-4-[3-(methylsulfonylamino)phenyl]-1,4-dihydropyridine-3-carboxylate

Systemtic Name: ethyl 2-(chloromethyl)-5-cyano-6-methyl-4-[3-(methylsulfonylamino)phenyl]-1,4-dihydropyridine-3-carboxylate Openeye Name: ethyl 2-(chloromethyl)-5-cyano-4-[3-(methanesulfonamido)phenyl]-6-methyl-1,4-dihydropyridine-3-carboxylate CAS Name: 2-(chloromethyl)-5-cyano-4-[3-(methanesulfonamido)phenyl]-6-methyl-1,4-dihydropyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(chloromethyl)-5-cyano-4-[3-(methanesulfonamido)phenyl]-6-methyl-1,4-dihydropyridine-3-carboxylate Traditional Name: 2-(chloromethyl)-5-cyano-4-[3-(methanesulfonamido)phenyl]-6-methyl-1,4-dihydropyridine-3-carboxylic acid ethyl ester Formula: C18H20ClN3O4S MolecularWeight: 409.8871

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)NS(=O)(=O)C)C#N)C)CCl

Isomeric SMILES

CCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)NS(=O)(=O)C)C#N)C)CCl

InChI

InChI=1S/C18H20ClN3O4S/c1-4-26-18(23)17-15(9-19)21-11(2)14(10-20)16(17)12-6-5-7-13(8-12)22-27(3,24)25/h5-8,16,21-22H,4,9H2,1-3H3