N-[(1R,2S)-1-[4-(2-methylpropanoyl)piperazin-1-ium-1-yl]-2,3-dihydro-1H-inden-2-yl]benzenesulfonamide

Systemtic Name: N-[(1R,2S)-1-[4-(2-methylpropanoyl)piperazin-1-ium-1-yl]-2,3-dihydro-1H-inden-2-yl]benzenesulfonamide Openeye Name: N-[(1R,2S)-1-[4-(2-methylpropanoyl)piperazin-1-ium-1-yl]indan-2-yl]benzenesulfonamide CAS Name: N-[(1R,2S)-1-[4-(2-methyl-1-oxopropyl)-1-piperazin-1-iumyl]-2,3-dihydro-1H-inden-2-yl]benzenesulfonamide IUPAC Name: N-[(1R,2S)-1-[4-(2-methylpropanoyl)piperazin-1-ium-1-yl]-2,3-dihydro-1H-inden-2-yl]benzenesulfonamide Traditional Name: N-[(1R,2S)-1-(4-isobutyrylpiperazin-1-ium-1-yl)indan-2-yl]benzenesulfonamide Formula: C23H30N3O3S+ MolecularWeight: 428.5676

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N1CC[NH+](CC1)C2C(CC3=CC=CC=C23)NS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CC(C)C(=O)N1CC[NH+](CC1)[C@H]2[C@H](CC3=CC=CC=C23)NS(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C23H29N3O3S/c1-17(2)23(27)26-14-12-25(13-15-26)22-20-11-7-6-8-18(20)16-21(22)24-30(28,29)19-9-4-3-5-10-19/h3-11,17,21-22,24H,12-16H2,1-2H3/p+1/t21-,22+/m0/s1