2-[4-(2-methoxy-5-nitro-phenyl)carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-(2-methoxy-5-nitro-phenyl)carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-(2-methoxy-5-nitro-benzoyl)piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[(2-methoxy-5-nitrophenyl)-oxomethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-(2-methoxy-5-nitrobenzoyl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-(2-methoxy-5-nitro-benzoyl)piperazino]sulfonylbenzonitrile Formula: C19H18N4O6S MolecularWeight: 430.43442

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N

InChI

InChI=1S/C19H18N4O6S/c1-29-17-7-6-15(23(25)26)12-16(17)19(24)21-8-10-22(11-9-21)30(27,28)18-5-3-2-4-14(18)13-20/h2-7,12H,8-11H2,1H3