8-[2-nitro-5-[4-(phenylsulfonyl)piperazin-1-yl]phenyl]sulfanylquinoline

Systemtic Name: 8-[2-nitro-5-[4-(phenylsulfonyl)piperazin-1-yl]phenyl]sulfanylquinoline Openeye Name: 8-[5-[4-(benzenesulfonyl)piperazin-1-yl]-2-nitro-phenyl]sulfanylquinoline CAS Name: 8-[[5-[4-(benzenesulfonyl)-1-piperazinyl]-2-nitrophenyl]thio]quinoline IUPAC Name: 8-[5-[4-(benzenesulfonyl)piperazin-1-yl]-2-nitrophenyl]sulfanylquinoline Traditional Name: 8-[[5-(4-besylpiperazino)-2-nitro-phenyl]thio]quinoline Formula: C25H22N4O4S2 MolecularWeight: 506.59658

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC(=C(C=C2)[N+](=O)[O-])SC3=CC=CC4=C3N=CC=C4)S(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C2=CC(=C(C=C2)[N+](=O)[O-])SC3=CC=CC4=C3N=CC=C4)S(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C25H22N4O4S2/c30-29(31)22-12-11-20(18-24(22)34-23-10-4-6-19-7-5-13-26-25(19)23)27-14-16-28(17-15-27)35(32,33)21-8-2-1-3-9-21/h1-13,18H,14-17H2