4-[4-[2-(4-nitrophenyl)sulfanylethanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 4-[4-[2-(4-nitrophenyl)sulfanylethanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 4-[4-[2-(4-nitrophenyl)sulfanylacetyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 4-[[4-[2-[(4-nitrophenyl)thio]-1-oxoethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 4-[4-[2-(4-nitrophenyl)sulfanylacetyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 4-[4-[2-[(4-nitrophenyl)thio]acetyl]piperazino]sulfonylbenzonitrile Formula: C19H18N4O5S2 MolecularWeight: 446.50002

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CSC2=CC=C(C=C2)[N+](=O)[O-])S(=O)(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

C1CN(CCN1C(=O)CSC2=CC=C(C=C2)[N+](=O)[O-])S(=O)(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C19H18N4O5S2/c20-13-15-1-7-18(8-2-15)30(27,28)22-11-9-21(10-12-22)19(24)14-29-17-5-3-16(4-6-17)23(25)26/h1-8H,9-12,14H2