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

Systemtic Name: 2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-5-nitro-benzenecarbonitrile Openeye Name: 5-nitro-2-[4-(p-tolylsulfonyl)piperazin-1-yl]benzonitrile CAS Name: 2-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-5-nitrobenzonitrile IUPAC Name: 2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-5-nitrobenzonitrile Traditional Name: 5-nitro-2-(4-tosylpiperazino)benzonitrile Formula: C18H18N4O4S MolecularWeight: 386.42492

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=C(C=C(C=C3)[N+](=O)[O-])C#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=C(C=C(C=C3)[N+](=O)[O-])C#N

InChI

InChI=1S/C18H18N4O4S/c1-14-2-5-17(6-3-14)27(25,26)21-10-8-20(9-11-21)18-7-4-16(22(23)24)12-15(18)13-19/h2-7,12H,8-11H2,1H3