1-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]-2-quinolin-2-ylsulfanyl-ethanone

Systemtic Name: 1-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]-2-quinolin-2-ylsulfanyl-ethanone Openeye Name: 1-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]-2-(2-quinolylsulfanyl)ethanone CAS Name: 1-[4-(3-nitrophenyl)sulfonyl-1-piperazinyl]-2-(2-quinolinylthio)ethanone IUPAC Name: 1-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]-2-quinolin-2-ylsulfanylethanone Traditional Name: 1-[4-(3-nitrophenyl)sulfonylpiperazino]-2-(2-quinolylthio)ethanone Formula: C21H20N4O5S2 MolecularWeight: 472.5373

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CSC2=NC3=CC=CC=C3C=C2)S(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C(=O)CSC2=NC3=CC=CC=C3C=C2)S(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H20N4O5S2/c26-21(15-31-20-9-8-16-4-1-2-7-19(16)22-20)23-10-12-24(13-11-23)32(29,30)18-6-3-5-17(14-18)25(27)28/h1-9,14H,10-13,15H2