(2S)-1-(2-methyl-1H-indol-3-yl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)propan-1-one

Systemtic Name: (2S)-1-(2-methyl-1H-indol-3-yl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)propan-1-one Openeye Name: (2S)-1-(2-methyl-1H-indol-3-yl)-2-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]propan-1-one CAS Name: (2S)-1-(2-methyl-1H-indol-3-yl)-2-(4-thiophen-2-ylsulfonyl-1-piperazin-1-iumyl)-1-propanone IUPAC Name: (2S)-1-(2-methyl-1H-indol-3-yl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)propan-1-one Traditional Name: (2S)-1-(2-methyl-1H-indol-3-yl)-2-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]propan-1-one Formula: C20H24N3O3S2+ MolecularWeight: 418.55286

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1)C(=O)C(C)[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1)C(=O)[C@H](C)[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C20H23N3O3S2/c1-14-19(16-6-3-4-7-17(16)21-14)20(24)15(2)22-9-11-23(12-10-22)28(25,26)18-8-5-13-27-18/h3-8,13,15,21H,9-12H2,1-2H3/p+1/t15-/m0/s1