2-[4-[2-(3-nitrophenoxy)ethanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[2-(3-nitrophenoxy)ethanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[2-(3-nitrophenoxy)acetyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[2-(3-nitrophenoxy)-1-oxoethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[2-(3-nitrophenoxy)acetyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[2-(3-nitrophenoxy)acetyl]piperazino]sulfonylbenzonitrile Formula: C19H18N4O6S MolecularWeight: 430.43442

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)COC2=CC=CC(=C2)[N+](=O)[O-])S(=O)(=O)C3=CC=CC=C3C#N

Isomeric SMILES

C1CN(CCN1C(=O)COC2=CC=CC(=C2)[N+](=O)[O-])S(=O)(=O)C3=CC=CC=C3C#N

InChI

InChI=1S/C19H18N4O6S/c20-13-15-4-1-2-7-18(15)30(27,28)22-10-8-21(9-11-22)19(24)14-29-17-6-3-5-16(12-17)23(25)26/h1-7,12H,8-11,14H2