2-[4-(4-bromanyl-3-methyl-phenyl)sulfonylpiperazin-1-ium-1-yl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)ethanamide

Systemtic Name: 2-[4-(4-bromanyl-3-methyl-phenyl)sulfonylpiperazin-1-ium-1-yl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)ethanamide Openeye Name: 2-[4-(4-bromo-3-methyl-phenyl)sulfonylpiperazin-1-ium-1-yl]-N-(4,5-dimethylthiazol-2-yl)acetamide CAS Name: 2-[4-(4-bromo-3-methylphenyl)sulfonyl-1-piperazin-1-iumyl]-N-(4,5-dimethyl-2-thiazolyl)acetamide IUPAC Name: 2-[4-(4-bromo-3-methylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide Traditional Name: 2-[4-(4-bromo-3-methyl-phenyl)sulfonylpiperazin-1-ium-1-yl]-N-(4,5-dimethylthiazol-2-yl)acetamide Formula: C18H24BrN4O3S2+ MolecularWeight: 488.44216

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NC3=NC(=C(S3)C)C)Br

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NC3=NC(=C(S3)C)C)Br

InChI

InChI=1S/C18H23BrN4O3S2/c1-12-10-15(4-5-16(12)19)28(25,26)23-8-6-22(7-9-23)11-17(24)21-18-20-13(2)14(3)27-18/h4-5,10H,6-9,11H2,1-3H3,(H,20,21,24)/p+1