2-methoxy-N-[3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]propyl]-5-sulfamoyl-benzamide

Systemtic Name: 2-methoxy-N-[3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]propyl]-5-sulfamoyl-benzamide Openeye Name: 2-methoxy-N-[3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]propyl]-5-sulfamoyl-benzamide CAS Name: 2-methoxy-N-[3-[4-(2-methoxyphenyl)-1-piperazin-1-iumyl]propyl]-5-sulfamoylbenzamide IUPAC Name: 2-methoxy-N-[3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]propyl]-5-sulfamoylbenzamide Traditional Name: 2-methoxy-N-[3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]propyl]-5-sulfamoyl-benzamide Formula: C22H31N4O5S+ MolecularWeight: 463.57034

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N)C(=O)NCCC[NH+]2CCN(CC2)C3=CC=CC=C3OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N)C(=O)NCCC[NH+]2CCN(CC2)C3=CC=CC=C3OC

InChI

InChI=1S/C22H30N4O5S/c1-30-20-9-8-17(32(23,28)29)16-18(20)22(27)24-10-5-11-25-12-14-26(15-13-25)19-6-3-4-7-21(19)31-2/h3-4,6-9,16H,5,10-15H2,1-2H3,(H,24,27)(H2,23,28,29)/p+1