N-[4-(azepan-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]-4-(2-cyanoethylsulfamoyl)benzamide

Systemtic Name: N-[4-(azepan-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]-4-(2-cyanoethylsulfamoyl)benzamide Openeye Name: N-[4-(azepan-1-ium-1-ylmethyl)thiazol-2-yl]-4-(2-cyanoethylsulfamoyl)benzamide CAS Name: N-[4-(1-azepan-1-iumylmethyl)-2-thiazolyl]-4-(2-cyanoethylsulfamoyl)benzamide IUPAC Name: N-[4-(azepan-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]-4-(2-cyanoethylsulfamoyl)benzamide Traditional Name: N-[4-(azepan-1-ium-1-ylmethyl)thiazol-2-yl]-4-(2-cyanoethylsulfamoyl)benzamide Formula: C20H26N5O3S2+ MolecularWeight: 448.58214

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CC2=CSC(=N2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)NCCC#N

Isomeric SMILES

C1CCC[NH+](CC1)CC2=CSC(=N2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)NCCC#N

InChI

InChI=1S/C20H25N5O3S2/c21-10-5-11-22-30(27,28)18-8-6-16(7-9-18)19(26)24-20-23-17(15-29-20)14-25-12-3-1-2-4-13-25/h6-9,15,22H,1-5,11-14H2,(H,23,24,26)/p+1