[4-(methylamino)-3-nitro-phenyl]-[4-(phenylsulfonyl)piperazin-1-yl]methanone

Systemtic Name: [4-(methylamino)-3-nitro-phenyl]-[4-(phenylsulfonyl)piperazin-1-yl]methanone Openeye Name: [4-(benzenesulfonyl)piperazin-1-yl]-[4-(methylamino)-3-nitro-phenyl]methanone CAS Name: [4-(benzenesulfonyl)-1-piperazinyl]-[4-(methylamino)-3-nitrophenyl]methanone IUPAC Name: [4-(benzenesulfonyl)piperazin-1-yl]-[4-(methylamino)-3-nitrophenyl]methanone Traditional Name: (4-besylpiperazino)-[4-(methylamino)-3-nitro-phenyl]methanone Formula: C18H20N4O5S MolecularWeight: 404.4402

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C=C(C=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H20N4O5S/c1-19-16-8-7-14(13-17(16)22(24)25)18(23)20-9-11-21(12-10-20)28(26,27)15-5-3-2-4-6-15/h2-8,13,19H,9-12H2,1H3