3-[[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 3-[[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 3-[[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]methyl]benzonitrile CAS Name: 3-[[4-(2-methyl-5-nitrophenyl)sulfonyl-1-piperazinyl]methyl]benzonitrile IUPAC Name: 3-[[4-(2-methyl-5-nitrophenyl)sulfonylpiperazin-1-yl]methyl]benzonitrile Traditional Name: 3-[[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazino]methyl]benzonitrile Formula: C19H20N4O4S MolecularWeight: 400.4515

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCN(CC2)CC3=CC=CC(=C3)C#N

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCN(CC2)CC3=CC=CC(=C3)C#N

InChI

InChI=1S/C19H20N4O4S/c1-15-5-6-18(23(24)25)12-19(15)28(26,27)22-9-7-21(8-10-22)14-17-4-2-3-16(11-17)13-20/h2-6,11-12H,7-10,14H2,1H3