2-(azepan-1-ium-1-yl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)ethanamide

Systemtic Name: 2-(azepan-1-ium-1-yl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)ethanamide Openeye Name: 2-(azepan-1-ium-1-yl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide CAS Name: 2-(1-azepan-1-iumyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide IUPAC Name: 2-(azepan-1-ium-1-yl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide Traditional Name: 2-(azepan-1-ium-1-yl)-N-(6-mesyl-1,3-benzothiazol-2-yl)acetamide Formula: C16H22N3O3S2+ MolecularWeight: 368.49418

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C[NH+]3CCCCCC3

Isomeric SMILES

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C[NH+]3CCCCCC3

InChI

InChI=1S/C16H21N3O3S2/c1-24(21,22)12-6-7-13-14(10-12)23-16(17-13)18-15(20)11-19-8-4-2-3-5-9-19/h6-7,10H,2-5,8-9,11H2,1H3,(H,17,18,20)/p+1