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

Systemtic Name: N-(2-bromophenyl)-2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2-bromophenyl)-2-(4-indan-5-ylsulfonylpiperazin-1-ium-1-yl)acetamide CAS Name: N-(2-bromophenyl)-2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-bromophenyl)-2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2-bromophenyl)-2-(4-indan-5-ylsulfonylpiperazin-1-ium-1-yl)acetamide Formula: C21H25BrN3O3S+ MolecularWeight: 479.4105

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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)NC4=CC=CC=C4Br

Isomeric SMILES

C1CC2=C(C1)C=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)CC(=O)NC4=CC=CC=C4Br

InChI

InChI=1S/C21H24BrN3O3S/c22-19-6-1-2-7-20(19)23-21(26)15-24-10-12-25(13-11-24)29(27,28)18-9-8-16-4-3-5-17(16)14-18/h1-2,6-9,14H,3-5,10-13,15H2,(H,23,26)/p+1