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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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