4-(4-methoxyphenyl)sulfonyl-2-(pyridin-3-ylmethylamino)thiophene-3-carboxylic acid

Systemtic Name: 4-(4-methoxyphenyl)sulfonyl-2-(pyridin-3-ylmethylamino)thiophene-3-carboxylic acid Openeye Name: 4-(4-methoxyphenyl)sulfonyl-2-(3-pyridylmethylamino)thiophene-3-carboxylic acid CAS Name: 4-(4-methoxyphenyl)sulfonyl-2-(3-pyridinylmethylamino)-3-thiophenecarboxylic acid IUPAC Name: 4-(4-methoxyphenyl)sulfonyl-2-(pyridin-3-ylmethylamino)thiophene-3-carboxylic acid Traditional Name: 4-(4-methoxyphenyl)sulfonyl-2-(3-pyridylmethylamino)-3-thenoic acid Formula: C18H16N2O5S2 MolecularWeight: 404.46004

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)C2=CSC(=C2C(=O)O)NCC3=CN=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)C2=CSC(=C2C(=O)O)NCC3=CN=CC=C3

InChI

InChI=1S/C18H16N2O5S2/c1-25-13-4-6-14(7-5-13)27(23,24)15-11-26-17(16(15)18(21)22)20-10-12-3-2-8-19-9-12/h2-9,11,20H,10H2,1H3,(H,21,22)