2-[4-[2-[(2-methoxyphenyl)sulfamoyl]-4-nitro-phenyl]piperazin-1-ium-1-yl]-N-propyl-ethanamide

Systemtic Name: 2-[4-[2-[(2-methoxyphenyl)sulfamoyl]-4-nitro-phenyl]piperazin-1-ium-1-yl]-N-propyl-ethanamide Openeye Name: 2-[4-[2-[(2-methoxyphenyl)sulfamoyl]-4-nitro-phenyl]piperazin-1-ium-1-yl]-N-propyl-acetamide CAS Name: 2-[4-[2-[(2-methoxyphenyl)sulfamoyl]-4-nitrophenyl]-1-piperazin-1-iumyl]-N-propylacetamide IUPAC Name: 2-[4-[2-[(2-methoxyphenyl)sulfamoyl]-4-nitrophenyl]piperazin-1-ium-1-yl]-N-propylacetamide Traditional Name: 2-[4-[2-[(2-methoxyphenyl)sulfamoyl]-4-nitro-phenyl]piperazin-1-ium-1-yl]-N-propyl-acetamide Formula: C22H30N5O6S+ MolecularWeight: 492.5685

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C[NH+]1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)NC3=CC=CC=C3OC

Isomeric SMILES

CCCNC(=O)C[NH+]1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)NC3=CC=CC=C3OC

InChI

InChI=1S/C22H29N5O6S/c1-3-10-23-22(28)16-25-11-13-26(14-12-25)19-9-8-17(27(29)30)15-21(19)34(31,32)24-18-6-4-5-7-20(18)33-2/h4-9,15,24H,3,10-14,16H2,1-2H3,(H,23,28)/p+1