2-(4-morpholin-4-ylsulfonyl-2-nitro-phenyl)sulfanylpyridine-3-carboxylic acid

Systemtic Name: 2-(4-morpholin-4-ylsulfonyl-2-nitro-phenyl)sulfanylpyridine-3-carboxylic acid Openeye Name: 2-(4-morpholinosulfonyl-2-nitro-phenyl)sulfanylpyridine-3-carboxylic acid CAS Name: 2-[[4-(4-morpholinylsulfonyl)-2-nitrophenyl]thio]-3-pyridinecarboxylic acid IUPAC Name: 2-(4-morpholin-4-ylsulfonyl-2-nitrophenyl)sulfanylpyridine-3-carboxylic acid Traditional Name: 2-[(4-morpholinosulfonyl-2-nitro-phenyl)thio]nicotinic acid Formula: C16H15N3O7S2 MolecularWeight: 425.4362

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)SC3=C(C=CC=N3)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)SC3=C(C=CC=N3)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C16H15N3O7S2/c20-16(21)12-2-1-5-17-15(12)27-14-4-3-11(10-13(14)19(22)23)28(24,25)18-6-8-26-9-7-18/h1-5,10H,6-9H2,(H,20,21)