2-hydroxyethyl 2,6-dimethyl-4-(3-nitrophenyl)-5-(phenylsulfonyl)pyridine-3-carboxylate

Systemtic Name: 2-hydroxyethyl 2,6-dimethyl-4-(3-nitrophenyl)-5-(phenylsulfonyl)pyridine-3-carboxylate Openeye Name: 2-hydroxyethyl 5-(benzenesulfonyl)-2,6-dimethyl-4-(3-nitrophenyl)pyridine-3-carboxylate CAS Name: 5-(benzenesulfonyl)-2,6-dimethyl-4-(3-nitrophenyl)-3-pyridinecarboxylic acid 2-hydroxyethyl ester IUPAC Name: 2-hydroxyethyl 5-(benzenesulfonyl)-2,6-dimethyl-4-(3-nitrophenyl)pyridine-3-carboxylate Traditional Name: 5-besyl-2,6-dimethyl-4-(3-nitrophenyl)nicotinic acid 2-hydroxyethyl ester Formula: C22H20N2O7S MolecularWeight: 456.4684

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20N2O7S/c1-14-19(22(26)31-12-11-25)20(16-7-6-8-17(13-16)24(27)28)21(15(2)23-14)32(29,30)18-9-4-3-5-10-18/h3-10,13,25H,11-12H2,1-2H3