ethyl 2-[[1-(4-chlorophenyl)sulfonylpiperidin-3-yl]carbonylamino]-5-nitro-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[[1-(4-chlorophenyl)sulfonylpiperidin-3-yl]carbonylamino]-5-nitro-thiophene-3-carboxylate Openeye Name: ethyl 2-[[1-(4-chlorophenyl)sulfonylpiperidine-3-carbonyl]amino]-5-nitro-thiophene-3-carboxylate CAS Name: 2-[[[1-(4-chlorophenyl)sulfonyl-3-piperidinyl]-oxomethyl]amino]-5-nitro-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[1-(4-chlorophenyl)sulfonylpiperidine-3-carbonyl]amino]-5-nitrothiophene-3-carboxylate Traditional Name: 2-[[1-(4-chlorophenyl)sulfonylnipecotoyl]amino]-5-nitro-thiophene-3-carboxylic acid ethyl ester Formula: C19H20ClN3O7S2 MolecularWeight: 501.961

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)[N+](=O)[O-])NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)[N+](=O)[O-])NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C19H20ClN3O7S2/c1-2-30-19(25)15-10-16(23(26)27)31-18(15)21-17(24)12-4-3-9-22(11-12)32(28,29)14-7-5-13(20)6-8-14/h5-8,10,12H,2-4,9,11H2,1H3,(H,21,24)