2-[4-(5-chloranylthiophen-2-yl)sulfonylpiperazin-1-yl]-5-nitro-benzenecarbonitrile

Systemtic Name: 2-[4-(5-chloranylthiophen-2-yl)sulfonylpiperazin-1-yl]-5-nitro-benzenecarbonitrile Openeye Name: 2-[4-[(5-chloro-2-thienyl)sulfonyl]piperazin-1-yl]-5-nitro-benzonitrile CAS Name: 2-[4-[(5-chloro-2-thiophenyl)sulfonyl]-1-piperazinyl]-5-nitrobenzonitrile IUPAC Name: 2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-5-nitrobenzonitrile Traditional Name: 2-[4-[(5-chloro-2-thienyl)sulfonyl]piperazino]-5-nitro-benzonitrile Formula: C15H13ClN4O4S2 MolecularWeight: 412.87112

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=C2)[N+](=O)[O-])C#N)S(=O)(=O)C3=CC=C(S3)Cl

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)[N+](=O)[O-])C#N)S(=O)(=O)C3=CC=C(S3)Cl

InChI

InChI=1S/C15H13ClN4O4S2/c16-14-3-4-15(25-14)26(23,24)19-7-5-18(6-8-19)13-2-1-12(20(21)22)9-11(13)10-17/h1-4,9H,5-8H2