4-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]carbonylbenzenecarbonitrile

Systemtic Name: 4-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]carbonylbenzenecarbonitrile Openeye Name: 4-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazine-1-carbonyl]benzonitrile CAS Name: 4-[[4-(2-methyl-5-nitrophenyl)sulfonyl-1-piperazinyl]-oxomethyl]benzonitrile IUPAC Name: 4-[4-(2-methyl-5-nitrophenyl)sulfonylpiperazine-1-carbonyl]benzonitrile Traditional Name: 4-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazine-1-carbonyl]benzonitrile Formula: C19H18N4O5S MolecularWeight: 414.43502

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C19H18N4O5S/c1-14-2-7-17(23(25)26)12-18(14)29(27,28)22-10-8-21(9-11-22)19(24)16-5-3-15(13-20)4-6-16/h2-7,12H,8-11H2,1H3