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

Systemtic Name: 3-methyl-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-4-nitro-benzamide Openeye Name: 3-methyl-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-4-nitro-benzamide CAS Name: 3-methyl-N-[4-[(4-methyl-1-piperazinyl)sulfonyl]phenyl]-4-nitrobenzamide IUPAC Name: 3-methyl-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-4-nitrobenzamide Traditional Name: 3-methyl-N-[4-(4-methylpiperazino)sulfonylphenyl]-4-nitro-benzamide Formula: C19H22N4O5S MolecularWeight: 418.46678

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCN(CC3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCN(CC3)C)[N+](=O)[O-]

InChI

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