N-methyl-4-nitro-N-[4-oxidanylidene-4-(4-phenylpiperazin-1-yl)butyl]benzenesulfonamide

Systemtic Name: N-methyl-4-nitro-N-[4-oxidanylidene-4-(4-phenylpiperazin-1-yl)butyl]benzenesulfonamide Openeye Name: N-methyl-4-nitro-N-[4-oxo-4-(4-phenylpiperazin-1-yl)butyl]benzenesulfonamide CAS Name: N-methyl-4-nitro-N-[4-oxo-4-(4-phenyl-1-piperazinyl)butyl]benzenesulfonamide IUPAC Name: N-methyl-4-nitro-N-[4-oxo-4-(4-phenylpiperazin-1-yl)butyl]benzenesulfonamide Traditional Name: N-[4-keto-4-(4-phenylpiperazino)butyl]-N-methyl-4-nitro-benzenesulfonamide Formula: C21H26N4O5S MolecularWeight: 446.51994

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCC(=O)N1CCN(CC1)C2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CN(CCCC(=O)N1CCN(CC1)C2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H26N4O5S/c1-22(31(29,30)20-11-9-19(10-12-20)25(27)28)13-5-8-21(26)24-16-14-23(15-17-24)18-6-3-2-4-7-18/h2-4,6-7,9-12H,5,8,13-17H2,1H3