methyl 2-methyl-5-methylsulfonyl-4-(2-nitrophenyl)-6-phenyl-1,4-dihydropyridine-3-carboxylate

Systemtic Name: methyl 2-methyl-5-methylsulfonyl-4-(2-nitrophenyl)-6-phenyl-1,4-dihydropyridine-3-carboxylate Openeye Name: methyl 2-methyl-5-methylsulfonyl-4-(2-nitrophenyl)-6-phenyl-1,4-dihydropyridine-3-carboxylate CAS Name: 2-methyl-5-methylsulfonyl-4-(2-nitrophenyl)-6-phenyl-1,4-dihydropyridine-3-carboxylic acid methyl ester IUPAC Name: methyl 2-methyl-5-methylsulfonyl-4-(2-nitrophenyl)-6-phenyl-1,4-dihydropyridine-3-carboxylate Traditional Name: 5-mesyl-2-methyl-4-(2-nitrophenyl)-6-phenyl-1,4-dihydropyridine-3-carboxylic acid methyl ester Formula: C21H20N2O6S MolecularWeight: 428.4583

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)C2=CC=CC=C2)S(=O)(=O)C)C3=CC=CC=C3[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC1=C(C(C(=C(N1)C2=CC=CC=C2)S(=O)(=O)C)C3=CC=CC=C3[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C21H20N2O6S/c1-13-17(21(24)29-2)18(15-11-7-8-12-16(15)23(25)26)20(30(3,27)28)19(22-13)14-9-5-4-6-10-14/h4-12,18,22H,1-3H3