5-methylsulfanyl-4-[3-nitro-4-(pyridin-2-ylmethylamino)phenyl]sulfonyl-thiophene-2-carboxylic acid

Systemtic Name: 5-methylsulfanyl-4-[3-nitro-4-(pyridin-2-ylmethylamino)phenyl]sulfonyl-thiophene-2-carboxylic acid Openeye Name: 5-methylsulfanyl-4-[3-nitro-4-(2-pyridylmethylamino)phenyl]sulfonyl-thiophene-2-carboxylic acid CAS Name: 5-(methylthio)-4-[3-nitro-4-(2-pyridinylmethylamino)phenyl]sulfonyl-2-thiophenecarboxylic acid IUPAC Name: 5-methylsulfanyl-4-[3-nitro-4-(pyridin-2-ylmethylamino)phenyl]sulfonylthiophene-2-carboxylic acid Traditional Name: 5-(methylthio)-4-[3-nitro-4-(2-pyridylmethylamino)phenyl]sulfonyl-2-thenoic acid Formula: C18H15N3O6S3 MolecularWeight: 465.5232

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(S1)C(=O)O)S(=O)(=O)C2=CC(=C(C=C2)NCC3=CC=CC=N3)[N+](=O)[O-]

Isomeric SMILES

CSC1=C(C=C(S1)C(=O)O)S(=O)(=O)C2=CC(=C(C=C2)NCC3=CC=CC=N3)[N+](=O)[O-]

InChI

InChI=1S/C18H15N3O6S3/c1-28-18-16(9-15(29-18)17(22)23)30(26,27)12-5-6-13(14(8-12)21(24)25)20-10-11-4-2-3-7-19-11/h2-9,20H,10H2,1H3,(H,22,23)