2-hydroxyethyl 2,6-dimethyl-5-methylsulfonyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate

Systemtic Name: 2-hydroxyethyl 2,6-dimethyl-5-methylsulfonyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate Openeye Name: 2-hydroxyethyl 2,6-dimethyl-5-methylsulfonyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate CAS Name: 2,6-dimethyl-5-methylsulfonyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid 2-hydroxyethyl ester IUPAC Name: 2-hydroxyethyl 2,6-dimethyl-5-methylsulfonyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate Traditional Name: 5-mesyl-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid 2-hydroxyethyl ester Formula: C17H20N2O7S MolecularWeight: 396.4149

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N2O7S/c1-10-14(17(21)26-8-7-20)15(16(11(2)18-10)27(3,24)25)12-5-4-6-13(9-12)19(22)23/h4-6,9,15,18,20H,7-8H2,1-3H3