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

Systemtic Name: (2R)-1-(1H-indol-3-yl)-2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]propan-1-one Openeye Name: (2R)-2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-1-(1H-indol-3-yl)propan-1-one CAS Name: (2R)-2-[4-(benzenesulfonyl)-1-piperazin-1-iumyl]-1-(1H-indol-3-yl)-1-propanone IUPAC Name: (2R)-2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-1-(1H-indol-3-yl)propan-1-one Traditional Name: (2R)-2-(4-besylpiperazin-1-ium-1-yl)-1-(1H-indol-3-yl)propan-1-one Formula: C21H24N3O3S+ MolecularWeight: 398.49856

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CNC2=CC=CC=C21)[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C[C@H](C(=O)C1=CNC2=CC=CC=C21)[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H23N3O3S/c1-16(21(25)19-15-22-20-10-6-5-9-18(19)20)23-11-13-24(14-12-23)28(26,27)17-7-3-2-4-8-17/h2-10,15-16,22H,11-14H2,1H3/p+1/t16-/m1/s1