2-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-nitro-benzenesulfonamide

Systemtic Name: 2-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-nitro-benzenesulfonamide Openeye Name: 2-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-nitro-benzenesulfonamide CAS Name: 2-methyl-N-[4-[(4-methyl-1-piperazinyl)methyl]phenyl]-5-nitrobenzenesulfonamide IUPAC Name: 2-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-nitrobenzenesulfonamide Traditional Name: 2-methyl-N-[4-[(4-methylpiperazino)methyl]phenyl]-5-nitro-benzenesulfonamide Formula: C19H24N4O4S MolecularWeight: 404.48326

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NC2=CC=C(C=C2)CN3CCN(CC3)C

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NC2=CC=C(C=C2)CN3CCN(CC3)C

InChI

InChI=1S/C19H24N4O4S/c1-15-3-8-18(23(24)25)13-19(15)28(26,27)20-17-6-4-16(5-7-17)14-22-11-9-21(2)10-12-22/h3-8,13,20H,9-12,14H2,1-2H3