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

Systemtic Name: 2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-ium-1-yl]-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-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-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-benzyl-2-(4-indan-5-ylsulfonylpiperazin-1-ium-1-yl)acetamide Formula: C22H28N3O3S+ MolecularWeight: 414.54102

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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)NCC4=CC=CC=C4

Isomeric SMILES

C1CC2=C(C1)C=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)CC(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C22H27N3O3S/c26-22(23-16-18-5-2-1-3-6-18)17-24-11-13-25(14-12-24)29(27,28)21-10-9-19-7-4-8-20(19)15-21/h1-3,5-6,9-10,15H,4,7-8,11-14,16-17H2,(H,23,26)/p+1