2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-ium-1-yl]-N-(2-chloranyl-5-methylsulfonyl-phenyl)ethanamide

Systemtic Name: 2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-ium-1-yl]-N-(2-chloranyl-5-methylsulfonyl-phenyl)ethanamide Openeye Name: 2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-ium-1-yl]-N-(2-chloro-5-methylsulfonyl-phenyl)acetamide CAS Name: 2-[4-(1,3-benzothiazol-2-ylmethyl)-1-piperazin-1-iumyl]-N-(2-chloro-5-methylsulfonylphenyl)acetamide IUPAC Name: 2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-ium-1-yl]-N-(2-chloro-5-methylsulfonylphenyl)acetamide Traditional Name: 2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-ium-1-yl]-N-(2-chloro-5-mesyl-phenyl)acetamide Formula: C21H24ClN4O3S2+ MolecularWeight: 480.02326

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)Cl)NC(=O)C[NH+]2CCN(CC2)CC3=NC4=CC=CC=C4S3

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)Cl)NC(=O)C[NH+]2CCN(CC2)CC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H23ClN4O3S2/c1-31(28,29)15-6-7-16(22)18(12-15)23-20(27)13-25-8-10-26(11-9-25)14-21-24-17-4-2-3-5-19(17)30-21/h2-7,12H,8-11,13-14H2,1H3,(H,23,27)/p+1