3-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-yl]carbonylbenzenecarbonitrile

Systemtic Name: 3-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-yl]carbonylbenzenecarbonitrile Openeye Name: 3-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazine-1-carbonyl]benzonitrile CAS Name: 3-[[4-(4-methoxy-3-nitrophenyl)sulfonyl-1-piperazinyl]-oxomethyl]benzonitrile IUPAC Name: 3-[4-(4-methoxy-3-nitrophenyl)sulfonylpiperazine-1-carbonyl]benzonitrile Traditional Name: 3-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazine-1-carbonyl]benzonitrile Formula: C19H18N4O6S MolecularWeight: 430.43442

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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