4-[4-[1-(3-nitrophenyl)ethyl]piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 4-[4-[1-(3-nitrophenyl)ethyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 4-[4-[1-(3-nitrophenyl)ethyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 4-[[4-[1-(3-nitrophenyl)ethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 4-[4-[1-(3-nitrophenyl)ethyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 4-[4-[1-(3-nitrophenyl)ethyl]piperazino]sulfonylbenzonitrile Formula: C19H20N4O4S MolecularWeight: 400.4515

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N4O4S/c1-15(17-3-2-4-18(13-17)23(24)25)21-9-11-22(12-10-21)28(26,27)19-7-5-16(14-20)6-8-19/h2-8,13,15H,9-12H2,1H3