2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-5-nitro-benzenecarbonitrile

Systemtic Name: 2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-5-nitro-benzenecarbonitrile Openeye Name: 2-(4-indan-5-ylsulfonylpiperazin-1-yl)-5-nitro-benzonitrile CAS Name: 2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)-1-piperazinyl]-5-nitrobenzonitrile IUPAC Name: 2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-5-nitrobenzonitrile Traditional Name: 2-(4-indan-5-ylsulfonylpiperazino)-5-nitro-benzonitrile Formula: C20H20N4O4S MolecularWeight: 412.4622

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)C=C(C=C2)S(=O)(=O)N3CCN(CC3)C4=C(C=C(C=C4)[N+](=O)[O-])C#N

Isomeric SMILES

C1CC2=C(C1)C=C(C=C2)S(=O)(=O)N3CCN(CC3)C4=C(C=C(C=C4)[N+](=O)[O-])C#N

InChI

InChI=1S/C20H20N4O4S/c21-14-17-12-18(24(25)26)5-7-20(17)22-8-10-23(11-9-22)29(27,28)19-6-4-15-2-1-3-16(15)13-19/h4-7,12-13H,1-3,8-11H2