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

Systemtic Name: 5-nitro-2-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]benzenecarbonitrile Openeye Name: 5-nitro-2-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]benzonitrile CAS Name: 5-nitro-2-[4-(4-propylphenyl)sulfonyl-1-piperazinyl]benzonitrile IUPAC Name: 5-nitro-2-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]benzonitrile Traditional Name: 5-nitro-2-[4-(4-propylphenyl)sulfonylpiperazino]benzonitrile Formula: C20H22N4O4S MolecularWeight: 414.47808

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=C(C=C(C=C3)[N+](=O)[O-])C#N

Isomeric SMILES

CCCC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=C(C=C(C=C3)[N+](=O)[O-])C#N

InChI

InChI=1S/C20H22N4O4S/c1-2-3-16-4-7-19(8-5-16)29(27,28)23-12-10-22(11-13-23)20-9-6-18(24(25)26)14-17(20)15-21/h4-9,14H,2-3,10-13H2,1H3