2-[1-(carboxymethyl)indol-3-yl]-2-(4-methylsulfonylpiperazin-1-yl)ethanoic acid

Systemtic Name: 2-[1-(carboxymethyl)indol-3-yl]-2-(4-methylsulfonylpiperazin-1-yl)ethanoic acid Openeye Name: 2-[1-(carboxymethyl)indol-3-yl]-2-(4-methylsulfonylpiperazin-1-yl)acetic acid CAS Name: 2-[1-(carboxymethyl)-3-indolyl]-2-(4-methylsulfonyl-1-piperazinyl)acetic acid IUPAC Name: 2-[1-(carboxymethyl)indol-3-yl]-2-(4-methylsulfonylpiperazin-1-yl)acetic acid Traditional Name: 2-[1-(carboxymethyl)indol-3-yl]-2-(4-mesylpiperazino)acetic acid Formula: C17H21N3O6S MolecularWeight: 395.43014

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(CC1)C(C2=CN(C3=CC=CC=C32)CC(=O)O)C(=O)O

Isomeric SMILES

CS(=O)(=O)N1CCN(CC1)C(C2=CN(C3=CC=CC=C32)CC(=O)O)C(=O)O

InChI

InChI=1S/C17H21N3O6S/c1-27(25,26)20-8-6-18(7-9-20)16(17(23)24)13-10-19(11-15(21)22)14-5-3-2-4-12(13)14/h2-5,10,16H,6-9,11H2,1H3,(H,21,22)(H,23,24)