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

Systemtic Name: (2S)-2-(4-methylsulfonylpiperazin-1-ium-1-yl)-2-(2-phenyl-1H-indol-3-yl)ethanoate Openeye Name: (2S)-2-(4-methylsulfonylpiperazin-1-ium-1-yl)-2-(2-phenyl-1H-indol-3-yl)acetate CAS Name: (2S)-2-(4-methylsulfonyl-1-piperazin-1-iumyl)-2-(2-phenyl-1H-indol-3-yl)acetate IUPAC Name: (2S)-2-(4-methylsulfonylpiperazin-1-ium-1-yl)-2-(2-phenyl-1H-indol-3-yl)acetate Traditional Name: (2S)-2-(4-mesylpiperazin-1-ium-1-yl)-2-(2-phenyl-1H-indol-3-yl)acetate Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CC[NH+](CC1)C(C2=C(NC3=CC=CC=C32)C4=CC=CC=C4)C(=O)[O-]

Isomeric SMILES

CS(=O)(=O)N1CC[NH+](CC1)[C@@H](C2=C(NC3=CC=CC=C32)C4=CC=CC=C4)C(=O)[O-]

InChI

InChI=1S/C21H23N3O4S/c1-29(27,28)24-13-11-23(12-14-24)20(21(25)26)18-16-9-5-6-10-17(16)22-19(18)15-7-3-2-4-8-15/h2-10,20,22H,11-14H2,1H3,(H,25,26)/t20-/m0/s1