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

Systemtic Name: tert-butyl 4-[(5-chloranyl-1H-indol-2-yl)sulfonyl]-2-(2-methoxy-2-oxidanylidene-ethyl)piperazine-1-carboxylate Openeye Name: tert-butyl 4-[(5-chloro-1H-indol-2-yl)sulfonyl]-2-(2-methoxy-2-oxo-ethyl)piperazine-1-carboxylate CAS Name: 4-[(5-chloro-1H-indol-2-yl)sulfonyl]-2-(2-methoxy-2-oxoethyl)-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(5-chloro-1H-indol-2-yl)sulfonyl]-2-(2-methoxy-2-oxoethyl)piperazine-1-carboxylate Traditional Name: 4-[(5-chloro-1H-indol-2-yl)sulfonyl]-2-(2-keto-2-methoxy-ethyl)piperazine-1-carboxylic acid tert-butyl ester Formula: C20H26ClN3O6S MolecularWeight: 471.95494

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1CC(=O)OC)S(=O)(=O)C2=CC3=C(N2)C=CC(=C3)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1CC(=O)OC)S(=O)(=O)C2=CC3=C(N2)C=CC(=C3)Cl

InChI

InChI=1S/C20H26ClN3O6S/c1-20(2,3)30-19(26)24-8-7-23(12-15(24)11-18(25)29-4)31(27,28)17-10-13-9-14(21)5-6-16(13)22-17/h5-6,9-10,15,22H,7-8,11-12H2,1-4H3