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

Systemtic Name: N-[4-(azepan-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]-4-methyl-3-(methylsulfonylamino)benzamide Openeye Name: N-[4-(azepan-1-ium-1-ylmethyl)thiazol-2-yl]-3-(methanesulfonamido)-4-methyl-benzamide CAS Name: N-[4-(1-azepan-1-iumylmethyl)-2-thiazolyl]-3-(methanesulfonamido)-4-methylbenzamide IUPAC Name: N-[4-(azepan-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]-3-(methanesulfonamido)-4-methylbenzamide Traditional Name: N-[4-(azepan-1-ium-1-ylmethyl)thiazol-2-yl]-3-(methanesulfonamido)-4-methyl-benzamide Formula: C19H27N4O3S2+ MolecularWeight: 423.57268

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2=NC(=CS2)C[NH+]3CCCCCC3)NS(=O)(=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=NC(=CS2)C[NH+]3CCCCCC3)NS(=O)(=O)C

InChI

InChI=1S/C19H26N4O3S2/c1-14-7-8-15(11-17(14)22-28(2,25)26)18(24)21-19-20-16(13-27-19)12-23-9-5-3-4-6-10-23/h7-8,11,13,22H,3-6,9-10,12H2,1-2H3,(H,20,21,24)/p+1