N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-2-nitro-benzamide

Systemtic Name: N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-2-nitro-benzamide Openeye Name: N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-2-nitro-benzamide CAS Name: N-[4-[(4-methyl-1-piperazinyl)sulfonyl]phenyl]-2-nitrobenzamide IUPAC Name: N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-2-nitrobenzamide Traditional Name: N-[4-(4-methylpiperazino)sulfonylphenyl]-2-nitro-benzamide Formula: C18H20N4O5S MolecularWeight: 404.4402

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

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