4-piperidin-1-ium-1-yl-1-[(4-sulfamoylphenyl)carbamothioyl]piperidine-4-carboxamide

Systemtic Name: 4-piperidin-1-ium-1-yl-1-[(4-sulfamoylphenyl)carbamothioyl]piperidine-4-carboxamide Openeye Name: 4-piperidin-1-ium-1-yl-1-[(4-sulfamoylphenyl)carbamothioyl]piperidine-4-carboxamide CAS Name: 4-(1-piperidin-1-iumyl)-1-[(4-sulfamoylanilino)-sulfanylidenemethyl]-4-piperidinecarboxamide IUPAC Name: 4-piperidin-1-ium-1-yl-1-[(4-sulfamoylphenyl)carbamothioyl]piperidine-4-carboxamide Traditional Name: 4-piperidin-1-ium-1-yl-1-[(4-sulfamoylphenyl)thiocarbamoyl]isonipecotamide Formula: C18H28N5O3S2+ MolecularWeight: 426.57662

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)C2(CCN(CC2)C(=S)NC3=CC=C(C=C3)S(=O)(=O)N)C(=O)N

Isomeric SMILES

C1CC[NH+](CC1)C2(CCN(CC2)C(=S)NC3=CC=C(C=C3)S(=O)(=O)N)C(=O)N

InChI

InChI=1S/C18H27N5O3S2/c19-16(24)18(23-10-2-1-3-11-23)8-12-22(13-9-18)17(27)21-14-4-6-15(7-5-14)28(20,25)26/h4-7H,1-3,8-13H2,(H2,19,24)(H,21,27)(H2,20,25,26)/p+1