5-[4-[2,5-bis(chloranyl)thiophen-3-yl]sulfonylpiperazin-1-yl]-4-nitro-thiophene-2-sulfonamide

Systemtic Name: 5-[4-[2,5-bis(chloranyl)thiophen-3-yl]sulfonylpiperazin-1-yl]-4-nitro-thiophene-2-sulfonamide Openeye Name: 5-[4-[(2,5-dichloro-3-thienyl)sulfonyl]piperazin-1-yl]-4-nitro-thiophene-2-sulfonamide CAS Name: 5-[4-[(2,5-dichloro-3-thiophenyl)sulfonyl]-1-piperazinyl]-4-nitro-2-thiophenesulfonamide IUPAC Name: 5-[4-(2,5-dichlorothiophen-3-yl)sulfonylpiperazin-1-yl]-4-nitrothiophene-2-sulfonamide Traditional Name: 5-[4-[(2,5-dichloro-3-thienyl)sulfonyl]piperazino]-4-nitro-thiophene-2-sulfonamide Formula: C12H12Cl2N4O6S4 MolecularWeight: 507.41288

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(S2)S(=O)(=O)N)[N+](=O)[O-])S(=O)(=O)C3=C(SC(=C3)Cl)Cl

Isomeric SMILES

C1CN(CCN1C2=C(C=C(S2)S(=O)(=O)N)[N+](=O)[O-])S(=O)(=O)C3=C(SC(=C3)Cl)Cl

InChI

InChI=1S/C12H12Cl2N4O6S4/c13-9-6-8(11(14)25-9)28(23,24)17-3-1-16(2-4-17)12-7(18(19)20)5-10(26-12)27(15,21)22/h5-6H,1-4H2,(H2,15,21,22)