5-nitro-8-[4-(phenylsulfonyl)piperazin-1-yl]quinoline

Systemtic Name: 5-nitro-8-[4-(phenylsulfonyl)piperazin-1-yl]quinoline Openeye Name: 8-[4-(benzenesulfonyl)piperazin-1-yl]-5-nitro-quinoline CAS Name: 8-[4-(benzenesulfonyl)-1-piperazinyl]-5-nitroquinoline IUPAC Name: 8-[4-(benzenesulfonyl)piperazin-1-yl]-5-nitroquinoline Traditional Name: 8-(4-besylpiperazino)-5-nitro-quinoline Formula: C19H18N4O4S MolecularWeight: 398.43562

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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)C4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C19H18N4O4S/c24-23(25)17-8-9-18(19-16(17)7-4-10-20-19)21-11-13-22(14-12-21)28(26,27)15-5-2-1-3-6-15/h1-10H,11-14H2