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

Systemtic Name: ethyl 2-[[1-(4-methylphenyl)sulfonylpiperidin-4-yl]carbonylamino]-5-nitro-thiophene-3-carboxylate Openeye Name: ethyl 5-nitro-2-[[1-(p-tolylsulfonyl)piperidine-4-carbonyl]amino]thiophene-3-carboxylate CAS Name: 2-[[[1-(4-methylphenyl)sulfonyl-4-piperidinyl]-oxomethyl]amino]-5-nitro-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[1-(4-methylphenyl)sulfonylpiperidine-4-carbonyl]amino]-5-nitrothiophene-3-carboxylate Traditional Name: 5-nitro-2-[(1-tosylisonipecotoyl)amino]thiophene-3-carboxylic acid ethyl ester Formula: C20H23N3O7S2 MolecularWeight: 481.54252

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)[N+](=O)[O-])NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)[N+](=O)[O-])NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C20H23N3O7S2/c1-3-30-20(25)16-12-17(23(26)27)31-19(16)21-18(24)14-8-10-22(11-9-14)32(28,29)15-6-4-13(2)5-7-15/h4-7,12,14H,3,8-11H2,1-2H3,(H,21,24)