N-[4-(azepan-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]-5-(cyclopropylsulfamoyl)-2-methyl-benzamide

Systemtic Name: N-[4-(azepan-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]-5-(cyclopropylsulfamoyl)-2-methyl-benzamide Openeye Name: N-[4-(azepan-1-ium-1-ylmethyl)thiazol-2-yl]-5-(cyclopropylsulfamoyl)-2-methyl-benzamide CAS Name: N-[4-(1-azepan-1-iumylmethyl)-2-thiazolyl]-5-(cyclopropylsulfamoyl)-2-methylbenzamide IUPAC Name: N-[4-(azepan-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]-5-(cyclopropylsulfamoyl)-2-methylbenzamide Traditional Name: N-[4-(azepan-1-ium-1-ylmethyl)thiazol-2-yl]-5-(cyclopropylsulfamoyl)-2-methyl-benzamide Formula: C21H29N4O3S2+ MolecularWeight: 449.60996

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NC2CC2)C(=O)NC3=NC(=CS3)C[NH+]4CCCCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NC2CC2)C(=O)NC3=NC(=CS3)C[NH+]4CCCCCC4

InChI

InChI=1S/C21H28N4O3S2/c1-15-6-9-18(30(27,28)24-16-7-8-16)12-19(15)20(26)23-21-22-17(14-29-21)13-25-10-4-2-3-5-11-25/h6,9,12,14,16,24H,2-5,7-8,10-11,13H2,1H3,(H,22,23,26)/p+1