2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-5-nitro-benzenecarbonitrile

Systemtic Name: 2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-5-nitro-benzenecarbonitrile Openeye Name: 2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-5-nitro-benzonitrile CAS Name: 2-[4-(3-chlorophenyl)sulfonyl-1-piperazinyl]-5-nitrobenzonitrile IUPAC Name: 2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-5-nitrobenzonitrile Traditional Name: 2-[4-(3-chlorophenyl)sulfonylpiperazino]-5-nitro-benzonitrile Formula: C17H15ClN4O4S MolecularWeight: 406.8434

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15ClN4O4S/c18-14-2-1-3-16(11-14)27(25,26)21-8-6-20(7-9-21)17-5-4-15(22(23)24)10-13(17)12-19/h1-5,10-11H,6-9H2