(2R)-1-(2,3-dihydroindol-1-yl)-2-[4-(3-ethanoylphenyl)sulfonylpiperazin-1-ium-1-yl]propan-1-one

Systemtic Name: (2R)-1-(2,3-dihydroindol-1-yl)-2-[4-(3-ethanoylphenyl)sulfonylpiperazin-1-ium-1-yl]propan-1-one Openeye Name: (2R)-2-[4-(3-acetylphenyl)sulfonylpiperazin-1-ium-1-yl]-1-indolin-1-yl-propan-1-one CAS Name: (2R)-2-[4-(3-acetylphenyl)sulfonyl-1-piperazin-1-iumyl]-1-(2,3-dihydroindol-1-yl)-1-propanone IUPAC Name: (2R)-2-[4-(3-acetylphenyl)sulfonylpiperazin-1-ium-1-yl]-1-(2,3-dihydroindol-1-yl)propan-1-one Traditional Name: (2R)-2-[4-(3-acetylphenyl)sulfonylpiperazin-1-ium-1-yl]-1-indolin-1-yl-propan-1-one Formula: C23H28N3O4S+ MolecularWeight: 442.55112

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCC2=CC=CC=C21)[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CC(=C4)C(=O)C

Isomeric SMILES

C[C@H](C(=O)N1CCC2=CC=CC=C21)[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CC(=C4)C(=O)C

InChI

InChI=1S/C23H27N3O4S/c1-17(23(28)26-11-10-19-6-3-4-9-22(19)26)24-12-14-25(15-13-24)31(29,30)21-8-5-7-20(16-21)18(2)27/h3-9,16-17H,10-15H2,1-2H3/p+1/t17-/m1/s1