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

Systemtic Name: N,N-diethyl-4-[[4-[(4-methylpiperazin-4-ium-1-yl)methyl]phenyl]methylamino]-3-nitro-benzenesulfonamide Openeye Name: N,N-diethyl-4-[[4-[(4-methylpiperazin-4-ium-1-yl)methyl]phenyl]methylamino]-3-nitro-benzenesulfonamide CAS Name: N,N-diethyl-4-[[4-[(4-methyl-1-piperazin-4-iumyl)methyl]phenyl]methylamino]-3-nitrobenzenesulfonamide IUPAC Name: N,N-diethyl-4-[[4-[(4-methylpiperazin-4-ium-1-yl)methyl]phenyl]methylamino]-3-nitrobenzenesulfonamide Traditional Name: N,N-diethyl-4-[[4-[(4-methylpiperazin-4-ium-1-yl)methyl]benzyl]amino]-3-nitro-benzenesulfonamide Formula: C23H34N5O4S+ MolecularWeight: 476.61216

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)NCC2=CC=C(C=C2)CN3CC[NH+](CC3)C)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)NCC2=CC=C(C=C2)CN3CC[NH+](CC3)C)[N+](=O)[O-]

InChI

InChI=1S/C23H33N5O4S/c1-4-27(5-2)33(31,32)21-10-11-22(23(16-21)28(29)30)24-17-19-6-8-20(9-7-19)18-26-14-12-25(3)13-15-26/h6-11,16,24H,4-5,12-15,17-18H2,1-3H3/p+1