2-(1H-indol-3-yl)-2-(4-methylsulfonylpiperazin-1-yl)ethanoic acid

Systemtic Name: 2-(1H-indol-3-yl)-2-(4-methylsulfonylpiperazin-1-yl)ethanoic acid Openeye Name: 2-(1H-indol-3-yl)-2-(4-methylsulfonylpiperazin-1-yl)acetic acid CAS Name: 2-(1H-indol-3-yl)-2-(4-methylsulfonyl-1-piperazinyl)acetic acid IUPAC Name: 2-(1H-indol-3-yl)-2-(4-methylsulfonylpiperazin-1-yl)acetic acid Traditional Name: 2-(1H-indol-3-yl)-2-(4-mesylpiperazino)acetic acid Formula: C15H19N3O4S MolecularWeight: 337.39406

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(CC1)C(C2=CNC3=CC=CC=C32)C(=O)O

Isomeric SMILES

CS(=O)(=O)N1CCN(CC1)C(C2=CNC3=CC=CC=C32)C(=O)O

InChI

InChI=1S/C15H19N3O4S/c1-23(21,22)18-8-6-17(7-9-18)14(15(19)20)12-10-16-13-5-3-2-4-11(12)13/h2-5,10,14,16H,6-9H2,1H3,(H,19,20)