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

Systemtic Name: (2R)-1-(2,3-dihydroindol-1-yl)-2-[4-(phenylmethyl)sulfonylpiperazin-1-ium-1-yl]propan-1-one Openeye Name: (2R)-2-(4-benzylsulfonylpiperazin-1-ium-1-yl)-1-indolin-1-yl-propan-1-one CAS Name: (2R)-1-(2,3-dihydroindol-1-yl)-2-[4-(phenylmethyl)sulfonyl-1-piperazin-1-iumyl]-1-propanone IUPAC Name: (2R)-2-(4-benzylsulfonylpiperazin-1-ium-1-yl)-1-(2,3-dihydroindol-1-yl)propan-1-one Traditional Name: (2R)-2-(4-benzylsulfonylpiperazin-1-ium-1-yl)-1-indolin-1-yl-propan-1-one Formula: C22H28N3O3S+ MolecularWeight: 414.54102

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCC2=CC=CC=C21)[NH+]3CCN(CC3)S(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

C[C@H](C(=O)N1CCC2=CC=CC=C21)[NH+]3CCN(CC3)S(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C22H27N3O3S/c1-18(22(26)25-12-11-20-9-5-6-10-21(20)25)23-13-15-24(16-14-23)29(27,28)17-19-7-3-2-4-8-19/h2-10,18H,11-17H2,1H3/p+1/t18-/m1/s1