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

Systemtic Name: 2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-ium-1-yl]-N-(3,5-dimethylphenyl)ethanamide Openeye Name: N-(3,5-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-(3,5-dimethylphenyl)acetamide IUPAC Name: 2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-ium-1-yl]-N-(3,5-dimethylphenyl)acetamide Traditional Name: N-(3,5-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=CC(=CC(=C1)NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC4=C(CCC4)C=C3)C

Isomeric SMILES

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

InChI

InChI=1S/C23H29N3O3S/c1-17-12-18(2)14-21(13-17)24-23(27)16-25-8-10-26(11-9-25)30(28,29)22-7-6-19-4-3-5-20(19)15-22/h6-7,12-15H,3-5,8-11,16H2,1-2H3,(H,24,27)/p+1