ethyl 4-[4-[(3-ethoxycarbonyl-5-nitro-thiophen-2-yl)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[4-[(3-ethoxycarbonyl-5-nitro-thiophen-2-yl)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[4-[(3-ethoxycarbonyl-5-nitro-2-thienyl)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate CAS Name: 4-[4-[[(3-ethoxycarbonyl-5-nitro-2-thiophenyl)amino]-oxomethyl]phenyl]sulfonyl-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-[(3-ethoxycarbonyl-5-nitrothiophen-2-yl)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate Traditional Name: 4-[4-[(3-carbethoxy-5-nitro-2-thienyl)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylic acid ethyl ester Formula: C21H24N4O9S2 MolecularWeight: 540.56666

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)[N+](=O)[O-])NC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCN(CC3)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)[N+](=O)[O-])NC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCN(CC3)C(=O)OCC

InChI

InChI=1S/C21H24N4O9S2/c1-3-33-20(27)16-13-17(25(29)30)35-19(16)22-18(26)14-5-7-15(8-6-14)36(31,32)24-11-9-23(10-12-24)21(28)34-4-2/h5-8,13H,3-4,9-12H2,1-2H3,(H,22,26)