N-[3-[4-(4-methylpiperazin-1-yl)phenyl]propyl]-3-nitro-benzenesulfonamide

Systemtic Name: N-[3-[4-(4-methylpiperazin-1-yl)phenyl]propyl]-3-nitro-benzenesulfonamide Openeye Name: N-[3-[4-(4-methylpiperazin-1-yl)phenyl]propyl]-3-nitro-benzenesulfonamide CAS Name: N-[3-[4-(4-methyl-1-piperazinyl)phenyl]propyl]-3-nitrobenzenesulfonamide IUPAC Name: N-[3-[4-(4-methylpiperazin-1-yl)phenyl]propyl]-3-nitrobenzenesulfonamide Traditional Name: N-[3-[4-(4-methylpiperazino)phenyl]propyl]-3-nitro-benzenesulfonamide Formula: C20H26N4O4S MolecularWeight: 418.50984

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N4O4S/c1-22-12-14-23(15-13-22)18-9-7-17(8-10-18)4-3-11-21-29(27,28)20-6-2-5-19(16-20)24(25)26/h2,5-10,16,21H,3-4,11-15H2,1H3