2-(4-methylsulfonylpiperazin-1-yl)-2-(5-phenylmethoxy-1H-indol-3-yl)ethanoic acid

Systemtic Name: 2-(4-methylsulfonylpiperazin-1-yl)-2-(5-phenylmethoxy-1H-indol-3-yl)ethanoic acid Openeye Name: 2-(5-benzyloxy-1H-indol-3-yl)-2-(4-methylsulfonylpiperazin-1-yl)acetic acid CAS Name: 2-(4-methylsulfonyl-1-piperazinyl)-2-(5-phenylmethoxy-1H-indol-3-yl)acetic acid IUPAC Name: 2-(4-methylsulfonylpiperazin-1-yl)-2-(5-phenylmethoxy-1H-indol-3-yl)acetic acid Traditional Name: 2-(5-benzoxy-1H-indol-3-yl)-2-(4-mesylpiperazino)acetic acid Formula: C22H25N3O5S MolecularWeight: 443.516

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(CC1)C(C2=CNC3=C2C=C(C=C3)OCC4=CC=CC=C4)C(=O)O

Isomeric SMILES

CS(=O)(=O)N1CCN(CC1)C(C2=CNC3=C2C=C(C=C3)OCC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C22H25N3O5S/c1-31(28,29)25-11-9-24(10-12-25)21(22(26)27)19-14-23-20-8-7-17(13-18(19)20)30-15-16-5-3-2-4-6-16/h2-8,13-14,21,23H,9-12,15H2,1H3,(H,26,27)