N,N-bis(2-methylpropyl)-5-nitro-2-[4-(phenylmethyl)piperazin-1-yl]benzenesulfonamide

Systemtic Name: N,N-bis(2-methylpropyl)-5-nitro-2-[4-(phenylmethyl)piperazin-1-yl]benzenesulfonamide Openeye Name: 2-(4-benzylpiperazin-1-yl)-N,N-diisobutyl-5-nitro-benzenesulfonamide CAS Name: N,N-bis(2-methylpropyl)-5-nitro-2-[4-(phenylmethyl)-1-piperazinyl]benzenesulfonamide IUPAC Name: 2-(4-benzylpiperazin-1-yl)-N,N-bis(2-methylpropyl)-5-nitrobenzenesulfonamide Traditional Name: 2-(4-benzylpiperazino)-N,N-diisobutyl-5-nitro-benzenesulfonamide Formula: C25H36N4O4S MolecularWeight: 488.64274

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC(C)C)S(=O)(=O)C1=C(C=CC(=C1)[N+](=O)[O-])N2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

CC(C)CN(CC(C)C)S(=O)(=O)C1=C(C=CC(=C1)[N+](=O)[O-])N2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C25H36N4O4S/c1-20(2)17-28(18-21(3)4)34(32,33)25-16-23(29(30)31)10-11-24(25)27-14-12-26(13-15-27)19-22-8-6-5-7-9-22/h5-11,16,20-21H,12-15,17-19H2,1-4H3