methyl 2,6-dimethyl-4-(2-nitrophenyl)-5-(phenylsulfonyl)-1,4-dihydropyridine-3-carboxylate

Systemtic Name: methyl 2,6-dimethyl-4-(2-nitrophenyl)-5-(phenylsulfonyl)-1,4-dihydropyridine-3-carboxylate Openeye Name: methyl 5-(benzenesulfonyl)-2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3-carboxylate CAS Name: 5-(benzenesulfonyl)-2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid methyl ester IUPAC Name: methyl 5-(benzenesulfonyl)-2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3-carboxylate Traditional Name: 5-besyl-2,6-dimethyl-4-(2-nitrophenyl)-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)C)S(=O)(=O)C2=CC=CC=C2)C3=CC=CC=C3[N+](=O)[O-])C(=O)OC

Isomeric SMILES

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

InChI

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