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

Systemtic Name: 4-methyl-N-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]-3-nitro-benzamide Openeye Name: 4-methyl-N-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]-3-nitro-benzamide CAS Name: 4-methyl-N-[2-(4-methylsulfonyl-1-piperazinyl)phenyl]-3-nitrobenzamide IUPAC Name: 4-methyl-N-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]-3-nitrobenzamide Traditional Name: N-[2-(4-mesylpiperazino)phenyl]-4-methyl-3-nitro-benzamide Formula: C19H22N4O5S MolecularWeight: 418.46678

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2N3CCN(CC3)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2N3CCN(CC3)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C19H22N4O5S/c1-14-7-8-15(13-18(14)23(25)26)19(24)20-16-5-3-4-6-17(16)21-9-11-22(12-10-21)29(2,27)28/h3-8,13H,9-12H2,1-2H3,(H,20,24)