[2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl] 5-nitrothiophene-2-carboxylate

Systemtic Name: [2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl] 5-nitrothiophene-2-carboxylate Openeye Name: [2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-oxo-ethyl] 5-nitrothiophene-2-carboxylate CAS Name: 5-nitro-2-thiophenecarboxylic acid [2-[4-(4-chlorophenyl)sulfonyl-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 5-nitrothiophene-2-carboxylate Traditional Name: 5-nitrothiophene-2-carboxylic acid [2-[4-(4-chlorophenyl)sulfonylpiperazino]-2-keto-ethyl] ester Formula: C17H16ClN3O7S2 MolecularWeight: 473.90784

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)COC(=O)C2=CC=C(S2)[N+](=O)[O-])S(=O)(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

C1CN(CCN1C(=O)COC(=O)C2=CC=C(S2)[N+](=O)[O-])S(=O)(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C17H16ClN3O7S2/c18-12-1-3-13(4-2-12)30(26,27)20-9-7-19(8-10-20)15(22)11-28-17(23)14-5-6-16(29-14)21(24)25/h1-6H,7-11H2