4-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-3-nitro-benzenecarbonitrile

Systemtic Name: 4-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-3-nitro-benzenecarbonitrile Openeye Name: 4-[4-(2-naphthylsulfonyl)piperazin-1-yl]-3-nitro-benzonitrile CAS Name: 4-[4-(2-naphthalenylsulfonyl)-1-piperazinyl]-3-nitrobenzonitrile IUPAC Name: 4-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-3-nitrobenzonitrile Traditional Name: 4-[4-(2-naphthylsulfonyl)piperazino]-3-nitro-benzonitrile Formula: C21H18N4O4S MolecularWeight: 422.45702

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=C2)C#N)[N+](=O)[O-])S(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)C#N)[N+](=O)[O-])S(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C21H18N4O4S/c22-15-16-5-8-20(21(13-16)25(26)27)23-9-11-24(12-10-23)30(28,29)19-7-6-17-3-1-2-4-18(17)14-19/h1-8,13-14H,9-12H2