tert-butyl 4-[(5-chloranyl-1H-indol-2-yl)sulfonyl]-2-[2-oxidanylidene-2-(oxolan-2-ylmethylamino)ethyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[(5-chloranyl-1H-indol-2-yl)sulfonyl]-2-[2-oxidanylidene-2-(oxolan-2-ylmethylamino)ethyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[(5-chloro-1H-indol-2-yl)sulfonyl]-2-[2-oxo-2-(tetrahydrofuran-2-ylmethylamino)ethyl]piperazine-1-carboxylate CAS Name: 4-[(5-chloro-1H-indol-2-yl)sulfonyl]-2-[2-oxo-2-(2-oxolanylmethylamino)ethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(5-chloro-1H-indol-2-yl)sulfonyl]-2-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]piperazine-1-carboxylate Traditional Name: 4-[(5-chloro-1H-indol-2-yl)sulfonyl]-2-[2-keto-2-(tetrahydrofurfurylamino)ethyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C24H33ClN4O6S MolecularWeight: 541.06002

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1CC(=O)NCC2CCCO2)S(=O)(=O)C3=CC4=C(N3)C=CC(=C4)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1CC(=O)NCC2CCCO2)S(=O)(=O)C3=CC4=C(N3)C=CC(=C4)Cl

InChI

InChI=1S/C24H33ClN4O6S/c1-24(2,3)35-23(31)29-9-8-28(15-18(29)13-21(30)26-14-19-5-4-10-34-19)36(32,33)22-12-16-11-17(25)6-7-20(16)27-22/h6-7,11-12,18-19,27H,4-5,8-10,13-15H2,1-3H3,(H,26,30)