N-(2,3-dihydro-1H-inden-5-yl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2,3-dihydro-1H-inden-5-yl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-indan-5-yl-2-[4-(p-tolylsulfonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(2,3-dihydro-1H-inden-5-yl)-2-[4-(4-methylphenyl)sulfonyl-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2,3-dihydro-1H-inden-5-yl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Traditional Name: N-indan-5-yl-2-(4-tosylpiperazin-1-ium-1-yl)acetamide Formula: C22H28N3O3S+ MolecularWeight: 414.54102

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NC3=CC4=C(CCC4)C=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NC3=CC4=C(CCC4)C=C3

InChI

InChI=1S/C22H27N3O3S/c1-17-5-9-21(10-6-17)29(27,28)25-13-11-24(12-14-25)16-22(26)23-20-8-7-18-3-2-4-19(18)15-20/h5-10,15H,2-4,11-14,16H2,1H3,(H,23,26)/p+1