4-[4-[4-(dimethylamino)-3-nitro-phenyl]carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 4-[4-[4-(dimethylamino)-3-nitro-phenyl]carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 4-[4-[4-(dimethylamino)-3-nitro-benzoyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 4-[[4-[[4-(dimethylamino)-3-nitrophenyl]-oxomethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 4-[4-[4-(dimethylamino)-3-nitrobenzoyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 4-[4-[4-(dimethylamino)-3-nitro-benzoyl]piperazino]sulfonylbenzonitrile Formula: C20H21N5O5S MolecularWeight: 443.47624

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N5O5S/c1-22(2)18-8-5-16(13-19(18)25(27)28)20(26)23-9-11-24(12-10-23)31(29,30)17-6-3-15(14-21)4-7-17/h3-8,13H,9-12H2,1-2H3