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

Systemtic Name: (2R)-1-(2,3-dihydroindol-1-yl)-2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]propan-1-one Openeye Name: (2R)-2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-1-indolin-1-yl-propan-1-one CAS Name: (2R)-2-[4-(benzenesulfonyl)-1-piperazin-1-iumyl]-1-(2,3-dihydroindol-1-yl)-1-propanone IUPAC Name: (2R)-2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-1-(2,3-dihydroindol-1-yl)propan-1-one Traditional Name: (2R)-2-(4-besylpiperazin-1-ium-1-yl)-1-indolin-1-yl-propan-1-one Formula: C21H26N3O3S+ MolecularWeight: 400.51444

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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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O3S/c1-17(21(25)24-12-11-18-7-5-6-10-20(18)24)22-13-15-23(16-14-22)28(26,27)19-8-3-2-4-9-19/h2-10,17H,11-16H2,1H3/p+1/t17-/m1/s1