N-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]-3-nitro-benzamide

Systemtic Name: N-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]-3-nitro-benzamide Openeye Name: N-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]-3-nitro-benzamide CAS Name: N-[2-(4-methylsulfonyl-1-piperazinyl)phenyl]-3-nitrobenzamide IUPAC Name: N-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]-3-nitrobenzamide Traditional Name: N-[2-(4-mesylpiperazino)phenyl]-3-nitro-benzamide Formula: C18H20N4O5S MolecularWeight: 404.4402

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(CC1)C2=CC=CC=C2NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)N1CCN(CC1)C2=CC=CC=C2NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

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