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

Systemtic Name: 2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-ium-1-yl]-N-(2,3-dimethylphenyl)ethanamide Openeye Name: N-(2,3-dimethylphenyl)-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-(2,3-dimethylphenyl)acetamide IUPAC Name: 2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-ium-1-yl]-N-(2,3-dimethylphenyl)acetamide Traditional Name: N-(2,3-dimethylphenyl)-2-(4-indan-5-ylsulfonylpiperazin-1-ium-1-yl)acetamide Formula: C23H30N3O3S+ MolecularWeight: 428.5676

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC4=C(CCC4)C=C3)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC4=C(CCC4)C=C3)C

InChI

InChI=1S/C23H29N3O3S/c1-17-5-3-8-22(18(17)2)24-23(27)16-25-11-13-26(14-12-25)30(28,29)21-10-9-19-6-4-7-20(19)15-21/h3,5,8-10,15H,4,6-7,11-14,16H2,1-2H3,(H,24,27)/p+1