N-tert-butyl-4-[[2-[(4-ethylpiperazin-4-ium-1-yl)methyl]phenyl]methylamino]-3-nitro-benzenesulfonamide

Systemtic Name: N-tert-butyl-4-[[2-[(4-ethylpiperazin-4-ium-1-yl)methyl]phenyl]methylamino]-3-nitro-benzenesulfonamide Openeye Name: N-tert-butyl-4-[[2-[(4-ethylpiperazin-4-ium-1-yl)methyl]phenyl]methylamino]-3-nitro-benzenesulfonamide CAS Name: N-tert-butyl-4-[[2-[(4-ethyl-1-piperazin-4-iumyl)methyl]phenyl]methylamino]-3-nitrobenzenesulfonamide IUPAC Name: N-tert-butyl-4-[[2-[(4-ethylpiperazin-4-ium-1-yl)methyl]phenyl]methylamino]-3-nitrobenzenesulfonamide Traditional Name: N-tert-butyl-4-[[2-[(4-ethylpiperazin-4-ium-1-yl)methyl]benzyl]amino]-3-nitro-benzenesulfonamide Formula: C24H36N5O4S+ MolecularWeight: 490.63874

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)CC2=CC=CC=C2CNC3=C(C=C(C=C3)S(=O)(=O)NC(C)(C)C)[N+](=O)[O-]

Isomeric SMILES

CC[NH+]1CCN(CC1)CC2=CC=CC=C2CNC3=C(C=C(C=C3)S(=O)(=O)NC(C)(C)C)[N+](=O)[O-]

InChI

InChI=1S/C24H35N5O4S/c1-5-27-12-14-28(15-13-27)18-20-9-7-6-8-19(20)17-25-22-11-10-21(16-23(22)29(30)31)34(32,33)26-24(2,3)4/h6-11,16,25-26H,5,12-15,17-18H2,1-4H3/p+1