1-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]-2-phenylsulfanyl-propan-1-one

Systemtic Name: 1-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]-2-phenylsulfanyl-propan-1-one Openeye Name: 1-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]-2-phenylsulfanyl-propan-1-one CAS Name: 1-[4-(3-nitrophenyl)sulfonyl-1-piperazinyl]-2-(phenylthio)-1-propanone IUPAC Name: 1-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]-2-phenylsulfanylpropan-1-one Traditional Name: 1-[4-(3-nitrophenyl)sulfonylpiperazino]-2-(phenylthio)propan-1-one Formula: C19H21N3O5S2 MolecularWeight: 435.51714

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N3O5S2/c1-15(28-17-7-3-2-4-8-17)19(23)20-10-12-21(13-11-20)29(26,27)18-9-5-6-16(14-18)22(24)25/h2-9,14-15H,10-13H2,1H3