4-[[3-[1-(4-methylsulfonylpiperazin-1-yl)-2-oxidanyl-2-oxidanylidene-ethyl]-1H-indol-6-yl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[3-[1-(4-methylsulfonylpiperazin-1-yl)-2-oxidanyl-2-oxidanylidene-ethyl]-1H-indol-6-yl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[[3-[2-hydroxy-1-(4-methylsulfonylpiperazin-1-yl)-2-oxo-ethyl]-1H-indol-6-yl]amino]-4-oxo-butanoic acid CAS Name: 4-[[3-[2-hydroxy-1-(4-methylsulfonyl-1-piperazinyl)-2-oxoethyl]-1H-indol-6-yl]amino]-4-oxobutanoic acid IUPAC Name: 4-[[3-[2-hydroxy-1-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl]-1H-indol-6-yl]amino]-4-oxobutanoic acid Traditional Name: 4-[[3-[2-hydroxy-2-keto-1-(4-mesylpiperazino)ethyl]-1H-indol-6-yl]amino]-4-keto-butyric acid Formula: C19H24N4O7S MolecularWeight: 452.48146

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(CC1)C(C2=CNC3=C2C=CC(=C3)NC(=O)CCC(=O)O)C(=O)O

Isomeric SMILES

CS(=O)(=O)N1CCN(CC1)C(C2=CNC3=C2C=CC(=C3)NC(=O)CCC(=O)O)C(=O)O

InChI

InChI=1S/C19H24N4O7S/c1-31(29,30)23-8-6-22(7-9-23)18(19(27)28)14-11-20-15-10-12(2-3-13(14)15)21-16(24)4-5-17(25)26/h2-3,10-11,18,20H,4-9H2,1H3,(H,21,24)(H,25,26)(H,27,28)