8-[[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methyl]quinoline

Systemtic Name: 8-[[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methyl]quinoline Openeye Name: 8-[[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methyl]quinoline CAS Name: 8-[[4-(3-nitrophenyl)sulfonyl-1-piperazinyl]methyl]quinoline IUPAC Name: 8-[[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methyl]quinoline Traditional Name: 8-[[4-(3-nitrophenyl)sulfonylpiperazino]methyl]quinoline Formula: C20H20N4O4S MolecularWeight: 412.4622

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC3=C2N=CC=C3)S(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC=CC3=C2N=CC=C3)S(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H20N4O4S/c25-24(26)18-7-2-8-19(14-18)29(27,28)23-12-10-22(11-13-23)15-17-5-1-4-16-6-3-9-21-20(16)17/h1-9,14H,10-13,15H2