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

Systemtic Name: 2-methyl-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-3-nitro-benzamide Openeye Name: 2-methyl-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-3-nitro-benzamide CAS Name: 2-methyl-N-[4-[(4-methyl-1-piperazinyl)sulfonyl]phenyl]-3-nitrobenzamide IUPAC Name: 2-methyl-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-3-nitrobenzamide Traditional Name: 2-methyl-N-[4-(4-methylpiperazino)sulfonylphenyl]-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=C(C=C2)S(=O)(=O)N3CCN(CC3)C

Isomeric SMILES

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

InChI

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