4-nitro-N-[(2R)-2-(4-phenylpiperazin-1-ium-1-yl)propyl]benzenesulfonamide

Systemtic Name: 4-nitro-N-[(2R)-2-(4-phenylpiperazin-1-ium-1-yl)propyl]benzenesulfonamide Openeye Name: 4-nitro-N-[(2R)-2-(4-phenylpiperazin-1-ium-1-yl)propyl]benzenesulfonamide CAS Name: 4-nitro-N-[(2R)-2-(4-phenyl-1-piperazin-1-iumyl)propyl]benzenesulfonamide IUPAC Name: 4-nitro-N-[(2R)-2-(4-phenylpiperazin-1-ium-1-yl)propyl]benzenesulfonamide Traditional Name: 4-nitro-N-[(2R)-2-(4-phenylpiperazin-1-ium-1-yl)propyl]benzenesulfonamide Formula: C19H25N4O4S+ MolecularWeight: 405.4912

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNS(=O)(=O)C1=CC=C(C=C1)[N+](=O)[O-])[NH+]2CCN(CC2)C3=CC=CC=C3

Isomeric SMILES

C[C@H](CNS(=O)(=O)C1=CC=C(C=C1)[N+](=O)[O-])[NH+]2CCN(CC2)C3=CC=CC=C3

InChI

InChI=1S/C19H24N4O4S/c1-16(21-11-13-22(14-12-21)17-5-3-2-4-6-17)15-20-28(26,27)19-9-7-18(8-10-19)23(24)25/h2-10,16,20H,11-15H2,1H3/p+1/t16-/m1/s1