N-[2-(1H-indol-3-yl)ethyl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-[2-(1H-indol-3-yl)ethyl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[2-(1H-indol-3-yl)ethyl]-2-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-[2-(1H-indol-3-yl)ethyl]-2-(4-thiophen-2-ylsulfonyl-1-piperazin-1-iumyl)acetamide IUPAC Name: N-[2-(1H-indol-3-yl)ethyl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-[2-(1H-indol-3-yl)ethyl]-2-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]acetamide Formula: C20H25N4O3S2+ MolecularWeight: 433.5675

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NCCC2=CNC3=CC=CC=C32)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NCCC2=CNC3=CC=CC=C32)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C20H24N4O3S2/c25-19(21-8-7-16-14-22-18-5-2-1-4-17(16)18)15-23-9-11-24(12-10-23)29(26,27)20-6-3-13-28-20/h1-6,13-14,22H,7-12,15H2,(H,21,25)/p+1