5-nitro-8-[4-(phenylmethyl)sulfonylpiperazin-1-yl]quinoline

Systemtic Name: 5-nitro-8-[4-(phenylmethyl)sulfonylpiperazin-1-yl]quinoline Openeye Name: 8-(4-benzylsulfonylpiperazin-1-yl)-5-nitro-quinoline CAS Name: 5-nitro-8-[4-(phenylmethyl)sulfonyl-1-piperazinyl]quinoline IUPAC Name: 8-(4-benzylsulfonylpiperazin-1-yl)-5-nitroquinoline Traditional Name: 8-(4-benzylsulfonylpiperazino)-5-nitro-quinoline Formula: C20H20N4O4S MolecularWeight: 412.4622

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C3C(=C(C=C2)[N+](=O)[O-])C=CC=N3)S(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=C3C(=C(C=C2)[N+](=O)[O-])C=CC=N3)S(=O)(=O)CC4=CC=CC=C4

InChI

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