N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-aniline

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-aniline Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-aniline CAS Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-4-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-2-nitroaniline IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitroaniline Traditional Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-ethyl-[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-phenyl]amine Formula: C22H29N4O6S+ MolecularWeight: 477.55386

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC2=C(C=C1)OCCO2)C3=C(C=C(C=C3)S(=O)(=O)N4CC[NH+](CC4)C)[N+](=O)[O-]

Isomeric SMILES

CCN(CC1=CC2=C(C=C1)OCCO2)C3=C(C=C(C=C3)S(=O)(=O)N4CC[NH+](CC4)C)[N+](=O)[O-]

InChI

InChI=1S/C22H28N4O6S/c1-3-24(16-17-4-7-21-22(14-17)32-13-12-31-21)19-6-5-18(15-20(19)26(27)28)33(29,30)25-10-8-23(2)9-11-25/h4-7,14-15H,3,8-13,16H2,1-2H3/p+1