N-[[4-[(4-methylpiperazin-4-ium-1-yl)methyl]phenyl]methyl]-2-nitro-4-pyrrolidin-1-ylsulfonyl-aniline

Systemtic Name: N-[[4-[(4-methylpiperazin-4-ium-1-yl)methyl]phenyl]methyl]-2-nitro-4-pyrrolidin-1-ylsulfonyl-aniline Openeye Name: N-[[4-[(4-methylpiperazin-4-ium-1-yl)methyl]phenyl]methyl]-2-nitro-4-pyrrolidin-1-ylsulfonyl-aniline CAS Name: N-[[4-[(4-methyl-1-piperazin-4-iumyl)methyl]phenyl]methyl]-2-nitro-4-(1-pyrrolidinylsulfonyl)aniline IUPAC Name: N-[[4-[(4-methylpiperazin-4-ium-1-yl)methyl]phenyl]methyl]-2-nitro-4-pyrrolidin-1-ylsulfonylaniline Traditional Name: [4-[(4-methylpiperazin-4-ium-1-yl)methyl]benzyl]-(2-nitro-4-pyrrolidinosulfonyl-phenyl)amine Formula: C23H32N5O4S+ MolecularWeight: 474.59628

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)CC2=CC=C(C=C2)CNC3=C(C=C(C=C3)S(=O)(=O)N4CCCC4)[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)CC2=CC=C(C=C2)CNC3=C(C=C(C=C3)S(=O)(=O)N4CCCC4)[N+](=O)[O-]

InChI

InChI=1S/C23H31N5O4S/c1-25-12-14-26(15-13-25)18-20-6-4-19(5-7-20)17-24-22-9-8-21(16-23(22)28(29)30)33(31,32)27-10-2-3-11-27/h4-9,16,24H,2-3,10-15,17-18H2,1H3/p+1