1-methyl-3-[1-(4-methylsulfonylpiperazin-1-yl)-2-oxidanyl-2-oxidanylidene-ethyl]indole-6-carboxylic acid

Systemtic Name: 1-methyl-3-[1-(4-methylsulfonylpiperazin-1-yl)-2-oxidanyl-2-oxidanylidene-ethyl]indole-6-carboxylic acid Openeye Name: 3-[2-hydroxy-1-(4-methylsulfonylpiperazin-1-yl)-2-oxo-ethyl]-1-methyl-indole-6-carboxylic acid CAS Name: 3-[2-hydroxy-1-(4-methylsulfonyl-1-piperazinyl)-2-oxoethyl]-1-methyl-6-indolecarboxylic acid IUPAC Name: 3-[2-hydroxy-1-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl]-1-methylindole-6-carboxylic acid Traditional Name: 3-[2-hydroxy-2-keto-1-(4-mesylpiperazino)ethyl]-1-methyl-indole-6-carboxylic acid Formula: C17H21N3O6S MolecularWeight: 395.43014

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=C1C=C(C=C2)C(=O)O)C(C(=O)O)N3CCN(CC3)S(=O)(=O)C

Isomeric SMILES

CN1C=C(C2=C1C=C(C=C2)C(=O)O)C(C(=O)O)N3CCN(CC3)S(=O)(=O)C

InChI

InChI=1S/C17H21N3O6S/c1-18-10-13(12-4-3-11(16(21)22)9-14(12)18)15(17(23)24)19-5-7-20(8-6-19)27(2,25)26/h3-4,9-10,15H,5-8H2,1-2H3,(H,21,22)(H,23,24)