N-(4-sulfamoylphenyl)-3-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)propanamide

Systemtic Name: N-(4-sulfamoylphenyl)-3-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)propanamide Openeye Name: N-(4-sulfamoylphenyl)-3-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]propanamide CAS Name: N-(4-sulfamoylphenyl)-3-(4-thiophen-2-ylsulfonyl-1-piperazin-1-iumyl)propanamide IUPAC Name: N-(4-sulfamoylphenyl)-3-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)propanamide Traditional Name: N-(4-sulfamoylphenyl)-3-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]propionamide Formula: C17H23N4O5S3+ MolecularWeight: 459.58332

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

C1CN(CC[NH+]1CCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C17H22N4O5S3/c18-28(23,24)15-5-3-14(4-6-15)19-16(22)7-8-20-9-11-21(12-10-20)29(25,26)17-2-1-13-27-17/h1-6,13H,7-12H2,(H,19,22)(H2,18,23,24)/p+1