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

Systemtic Name: 4-[[4-[(4-ethylpiperazin-4-ium-1-yl)methyl]phenyl]methylamino]-N-methyl-3-nitro-benzenesulfonamide Openeye Name: 4-[[4-[(4-ethylpiperazin-4-ium-1-yl)methyl]phenyl]methylamino]-N-methyl-3-nitro-benzenesulfonamide CAS Name: 4-[[4-[(4-ethyl-1-piperazin-4-iumyl)methyl]phenyl]methylamino]-N-methyl-3-nitrobenzenesulfonamide IUPAC Name: 4-[[4-[(4-ethylpiperazin-4-ium-1-yl)methyl]phenyl]methylamino]-N-methyl-3-nitrobenzenesulfonamide Traditional Name: 4-[[4-[(4-ethylpiperazin-4-ium-1-yl)methyl]benzyl]amino]-N-methyl-3-nitro-benzenesulfonamide Formula: C21H30N5O4S+ MolecularWeight: 448.559

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)CC2=CC=C(C=C2)CNC3=C(C=C(C=C3)S(=O)(=O)NC)[N+](=O)[O-]

Isomeric SMILES

CC[NH+]1CCN(CC1)CC2=CC=C(C=C2)CNC3=C(C=C(C=C3)S(=O)(=O)NC)[N+](=O)[O-]

InChI

InChI=1S/C21H29N5O4S/c1-3-24-10-12-25(13-11-24)16-18-6-4-17(5-7-18)15-23-20-9-8-19(31(29,30)22-2)14-21(20)26(27)28/h4-9,14,22-23H,3,10-13,15-16H2,1-2H3/p+1