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

Systemtic Name: 3-[1-(4-methylsulfonylpiperazin-1-yl)-2-oxidanyl-2-oxidanylidene-ethyl]-1-(phenylmethyl)indole-2-carboxylic acid Openeye Name: 1-benzyl-3-[2-hydroxy-1-(4-methylsulfonylpiperazin-1-yl)-2-oxo-ethyl]indole-2-carboxylic acid CAS Name: 3-[2-hydroxy-1-(4-methylsulfonyl-1-piperazinyl)-2-oxoethyl]-1-(phenylmethyl)-2-indolecarboxylic acid IUPAC Name: 1-benzyl-3-[2-hydroxy-1-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl]indole-2-carboxylic acid Traditional Name: 1-benzyl-3-[2-hydroxy-2-keto-1-(4-mesylpiperazino)ethyl]indole-2-carboxylic acid Formula: C23H25N3O6S MolecularWeight: 471.5261

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(CC1)C(C2=C(N(C3=CC=CC=C32)CC4=CC=CC=C4)C(=O)O)C(=O)O

Isomeric SMILES

CS(=O)(=O)N1CCN(CC1)C(C2=C(N(C3=CC=CC=C32)CC4=CC=CC=C4)C(=O)O)C(=O)O

InChI

InChI=1S/C23H25N3O6S/c1-33(31,32)25-13-11-24(12-14-25)20(22(27)28)19-17-9-5-6-10-18(17)26(21(19)23(29)30)15-16-7-3-2-4-8-16/h2-10,20H,11-15H2,1H3,(H,27,28)(H,29,30)