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

Systemtic Name: 2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-ium-1-yl]-N-(4-hydroxyphenyl)ethanamide Openeye Name: N-(4-hydroxyphenyl)-2-(4-indan-5-ylsulfonylpiperazin-1-ium-1-yl)acetamide CAS Name: 2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)-1-piperazin-1-iumyl]-N-(4-hydroxyphenyl)acetamide IUPAC Name: 2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-ium-1-yl]-N-(4-hydroxyphenyl)acetamide Traditional Name: N-(4-hydroxyphenyl)-2-(4-indan-5-ylsulfonylpiperazin-1-ium-1-yl)acetamide Formula: C21H26N3O4S+ MolecularWeight: 416.51384

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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=C(C=C4)O

Isomeric SMILES

C1CC2=C(C1)C=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)CC(=O)NC4=CC=C(C=C4)O

InChI

InChI=1S/C21H25N3O4S/c25-19-7-5-18(6-8-19)22-21(26)15-23-10-12-24(13-11-23)29(27,28)20-9-4-16-2-1-3-17(16)14-20/h4-9,14,25H,1-3,10-13,15H2,(H,22,26)/p+1