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

Systemtic Name: N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-nitro-benzenesulfonamide Openeye Name: N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-nitro-benzenesulfonamide CAS Name: N-[4-[(4-methyl-1-piperazinyl)methyl]phenyl]-2-nitrobenzenesulfonamide IUPAC Name: N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-nitrobenzenesulfonamide Traditional Name: N-[4-[(4-methylpiperazino)methyl]phenyl]-2-nitro-benzenesulfonamide Formula: C18H22N4O4S MolecularWeight: 390.45668

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CC2=CC=C(C=C2)NS(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)CC2=CC=C(C=C2)NS(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C18H22N4O4S/c1-20-10-12-21(13-11-20)14-15-6-8-16(9-7-15)19-27(25,26)18-5-3-2-4-17(18)22(23)24/h2-9,19H,10-14H2,1H3