1-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-yl]-2-phenylsulfanyl-propan-1-one

Systemtic Name: 1-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-yl]-2-phenylsulfanyl-propan-1-one Openeye Name: 1-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-yl]-2-phenylsulfanyl-propan-1-one CAS Name: 1-[4-(4-methoxy-3-nitrophenyl)sulfonyl-1-piperazinyl]-2-(phenylthio)-1-propanone IUPAC Name: 1-[4-(4-methoxy-3-nitrophenyl)sulfonylpiperazin-1-yl]-2-phenylsulfanylpropan-1-one Traditional Name: 1-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazino]-2-(phenylthio)propan-1-one Formula: C20H23N3O6S2 MolecularWeight: 465.54312

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)OC)[N+](=O)[O-])SC3=CC=CC=C3

Isomeric SMILES

CC(C(=O)N1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)OC)[N+](=O)[O-])SC3=CC=CC=C3

InChI

InChI=1S/C20H23N3O6S2/c1-15(30-16-6-4-3-5-7-16)20(24)21-10-12-22(13-11-21)31(27,28)17-8-9-19(29-2)18(14-17)23(25)26/h3-9,14-15H,10-13H2,1-2H3