2-[4-(2-methyl-3-nitro-phenyl)carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-(2-methyl-3-nitro-phenyl)carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-(2-methyl-3-nitro-benzoyl)piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[(2-methyl-3-nitrophenyl)-oxomethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-(2-methyl-3-nitrobenzoyl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-(2-methyl-3-nitro-benzoyl)piperazino]sulfonylbenzonitrile Formula: C19H18N4O5S MolecularWeight: 414.43502

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N

InChI

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