2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-5-nitro-benzenecarbonitrile

Systemtic Name: 2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-5-nitro-benzenecarbonitrile Openeye Name: 2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-5-nitro-benzonitrile CAS Name: 2-[4-(4-ethoxyphenyl)sulfonyl-1-piperazinyl]-5-nitrobenzonitrile IUPAC Name: 2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-5-nitrobenzonitrile Traditional Name: 5-nitro-2-(4-p-phenetylsulfonylpiperazino)benzonitrile Formula: C19H20N4O5S MolecularWeight: 416.4509

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=C(C=C(C=C3)[N+](=O)[O-])C#N

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=C(C=C(C=C3)[N+](=O)[O-])C#N

InChI

InChI=1S/C19H20N4O5S/c1-2-28-17-4-6-18(7-5-17)29(26,27)22-11-9-21(10-12-22)19-8-3-16(23(24)25)13-15(19)14-20/h3-8,13H,2,9-12H2,1H3