8-[5-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-nitro-phenyl]sulfanylquinoline

Systemtic Name: 8-[5-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-nitro-phenyl]sulfanylquinoline Openeye Name: 8-[5-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-nitro-phenyl]sulfanylquinoline CAS Name: 8-[[5-[4-(4-chlorophenyl)sulfonyl-1-piperazinyl]-2-nitrophenyl]thio]quinoline IUPAC Name: 8-[5-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-nitrophenyl]sulfanylquinoline Traditional Name: 8-[[5-[4-(4-chlorophenyl)sulfonylpiperazino]-2-nitro-phenyl]thio]quinoline Formula: C25H21ClN4O4S2 MolecularWeight: 541.04164

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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=C(C=C5)Cl

Isomeric SMILES

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

InChI

InChI=1S/C25H21ClN4O4S2/c26-19-6-9-21(10-7-19)36(33,34)29-15-13-28(14-16-29)20-8-11-22(30(31)32)24(17-20)35-23-5-1-3-18-4-2-12-27-25(18)23/h1-12,17H,13-16H2