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

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

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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)C

Isomeric SMILES

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

InChI

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