(2S)-2-(2-methyl-1H-indol-3-yl)-2-(4-methylsulfonylpiperazin-1-ium-1-yl)ethanoate

Systemtic Name: (2S)-2-(2-methyl-1H-indol-3-yl)-2-(4-methylsulfonylpiperazin-1-ium-1-yl)ethanoate Openeye Name: (2S)-2-(2-methyl-1H-indol-3-yl)-2-(4-methylsulfonylpiperazin-1-ium-1-yl)acetate CAS Name: (2S)-2-(2-methyl-1H-indol-3-yl)-2-(4-methylsulfonyl-1-piperazin-1-iumyl)acetate IUPAC Name: (2S)-2-(2-methyl-1H-indol-3-yl)-2-(4-methylsulfonylpiperazin-1-ium-1-yl)acetate Traditional Name: (2S)-2-(4-mesylpiperazin-1-ium-1-yl)-2-(2-methyl-1H-indol-3-yl)acetate Formula: C16H21N3O4S MolecularWeight: 351.42064

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N3O4S/c1-11-14(12-5-3-4-6-13(12)17-11)15(16(20)21)18-7-9-19(10-8-18)24(2,22)23/h3-6,15,17H,7-10H2,1-2H3,(H,20,21)/t15-/m0/s1