N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(4-methylsulfonylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(4-methylsulfonylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(4-methylsulfonylpiperazin-1-ium-1-yl)acetamide CAS Name: N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(4-methylsulfonyl-1-piperazin-1-iumyl)acetamide IUPAC Name: N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(4-methylsulfonylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(4-mesylpiperazin-1-ium-1-yl)acetamide Formula: C17H25N4O3S2+ MolecularWeight: 397.5354

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CC[NH+](CC1)CC(=O)NC2=C(C3=C(S2)CCCCC3)C#N

Isomeric SMILES

CS(=O)(=O)N1CC[NH+](CC1)CC(=O)NC2=C(C3=C(S2)CCCCC3)C#N

InChI

InChI=1S/C17H24N4O3S2/c1-26(23,24)21-9-7-20(8-10-21)12-16(22)19-17-14(11-18)13-5-3-2-4-6-15(13)25-17/h2-10,12H2,1H3,(H,19,22)/p+1