tert-butyl 2-[(5-acetyloxy-4-oxidanylidene-pyran-2-yl)methylcarbamoyl]-4-[(5-chloranyl-1H-indol-2-yl)sulfonyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 2-[(5-acetyloxy-4-oxidanylidene-pyran-2-yl)methylcarbamoyl]-4-[(5-chloranyl-1H-indol-2-yl)sulfonyl]piperazine-1-carboxylate Openeye Name: tert-butyl 2-[(5-acetoxy-4-oxo-pyran-2-yl)methylcarbamoyl]-4-[(5-chloro-1H-indol-2-yl)sulfonyl]piperazine-1-carboxylate CAS Name: 2-[[(5-acetyloxy-4-oxo-2-pyranyl)methylamino]-oxomethyl]-4-[(5-chloro-1H-indol-2-yl)sulfonyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[(5-acetyloxy-4-oxopyran-2-yl)methylcarbamoyl]-4-[(5-chloro-1H-indol-2-yl)sulfonyl]piperazine-1-carboxylate Traditional Name: 2-[(5-acetoxy-4-keto-pyran-2-yl)methylcarbamoyl]-4-[(5-chloro-1H-indol-2-yl)sulfonyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C26H29ClN4O9S MolecularWeight: 609.04786

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=COC(=CC1=O)CNC(=O)C2CN(CCN2C(=O)OC(C)(C)C)S(=O)(=O)C3=CC4=C(N3)C=CC(=C4)Cl

Isomeric SMILES

CC(=O)OC1=COC(=CC1=O)CNC(=O)C2CN(CCN2C(=O)OC(C)(C)C)S(=O)(=O)C3=CC4=C(N3)C=CC(=C4)Cl

InChI

InChI=1S/C26H29ClN4O9S/c1-15(32)39-22-14-38-18(11-21(22)33)12-28-24(34)20-13-30(7-8-31(20)25(35)40-26(2,3)4)41(36,37)23-10-16-9-17(27)5-6-19(16)29-23/h5-6,9-11,14,20,29H,7-8,12-13H2,1-4H3,(H,28,34)