2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-ium-1-yl]-N-[2-(1H-indol-3-yl)ethyl]ethanamide

Systemtic Name: 2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-ium-1-yl]-N-[2-(1H-indol-3-yl)ethyl]ethanamide Openeye Name: 2-(4-indan-5-ylsulfonylpiperazin-1-ium-1-yl)-N-[2-(1H-indol-3-yl)ethyl]acetamide CAS Name: 2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)-1-piperazin-1-iumyl]-N-[2-(1H-indol-3-yl)ethyl]acetamide IUPAC Name: 2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-ium-1-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide Traditional Name: 2-(4-indan-5-ylsulfonylpiperazin-1-ium-1-yl)-N-[2-(1H-indol-3-yl)ethyl]acetamide Formula: C25H31N4O3S+ MolecularWeight: 467.60364

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)C=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)CC(=O)NCCC4=CNC5=CC=CC=C54

Isomeric SMILES

C1CC2=C(C1)C=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)CC(=O)NCCC4=CNC5=CC=CC=C54

InChI

InChI=1S/C25H30N4O3S/c30-25(26-11-10-21-17-27-24-7-2-1-6-23(21)24)18-28-12-14-29(15-13-28)33(31,32)22-9-8-19-4-3-5-20(19)16-22/h1-2,6-9,16-17,27H,3-5,10-15,18H2,(H,26,30)/p+1