2-[4-(5-bromanylthiophen-2-yl)sulfonylpiperazin-1-ium-1-yl]-N-(4-methylcyclohexyl)ethanamide

Systemtic Name: 2-[4-(5-bromanylthiophen-2-yl)sulfonylpiperazin-1-ium-1-yl]-N-(4-methylcyclohexyl)ethanamide Openeye Name: 2-[4-[(5-bromo-2-thienyl)sulfonyl]piperazin-1-ium-1-yl]-N-(4-methylcyclohexyl)acetamide CAS Name: 2-[4-[(5-bromo-2-thiophenyl)sulfonyl]-1-piperazin-1-iumyl]-N-(4-methylcyclohexyl)acetamide IUPAC Name: 2-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-ium-1-yl]-N-(4-methylcyclohexyl)acetamide Traditional Name: 2-[4-[(5-bromo-2-thienyl)sulfonyl]piperazin-1-ium-1-yl]-N-(4-methylcyclohexyl)acetamide Formula: C17H27BrN3O3S2+ MolecularWeight: 465.44858

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(S3)Br

Isomeric SMILES

CC1CCC(CC1)NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(S3)Br

InChI

InChI=1S/C17H26BrN3O3S2/c1-13-2-4-14(5-3-13)19-16(22)12-20-8-10-21(11-9-20)26(23,24)17-7-6-15(18)25-17/h6-7,13-14H,2-5,8-12H2,1H3,(H,19,22)/p+1