2-methyl-N-[3-[4-(4-methylpiperazin-1-yl)phenyl]propyl]-5-nitro-benzenesulfonamide

Systemtic Name: 2-methyl-N-[3-[4-(4-methylpiperazin-1-yl)phenyl]propyl]-5-nitro-benzenesulfonamide Openeye Name: 2-methyl-N-[3-[4-(4-methylpiperazin-1-yl)phenyl]propyl]-5-nitro-benzenesulfonamide CAS Name: 2-methyl-N-[3-[4-(4-methyl-1-piperazinyl)phenyl]propyl]-5-nitrobenzenesulfonamide IUPAC Name: 2-methyl-N-[3-[4-(4-methylpiperazin-1-yl)phenyl]propyl]-5-nitrobenzenesulfonamide Traditional Name: 2-methyl-N-[3-[4-(4-methylpiperazino)phenyl]propyl]-5-nitro-benzenesulfonamide Formula: C21H28N4O4S MolecularWeight: 432.53642

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NCCCC2=CC=C(C=C2)N3CCN(CC3)C

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NCCCC2=CC=C(C=C2)N3CCN(CC3)C

InChI

InChI=1S/C21H28N4O4S/c1-17-5-8-20(25(26)27)16-21(17)30(28,29)22-11-3-4-18-6-9-19(10-7-18)24-14-12-23(2)13-15-24/h5-10,16,22H,3-4,11-15H2,1-2H3