tert-butyl 4-[5-chloranyl-1-(phenylsulfonyl)indol-2-yl]sulfonyl-2-(2-oxidanylideneethyl)piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[5-chloranyl-1-(phenylsulfonyl)indol-2-yl]sulfonyl-2-(2-oxidanylideneethyl)piperazine-1-carboxylate Openeye Name: tert-butyl 4-[1-(benzenesulfonyl)-5-chloro-indol-2-yl]sulfonyl-2-(2-oxoethyl)piperazine-1-carboxylate CAS Name: 4-[[1-(benzenesulfonyl)-5-chloro-2-indolyl]sulfonyl]-2-(2-oxoethyl)-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[1-(benzenesulfonyl)-5-chloroindol-2-yl]sulfonyl-2-(2-oxoethyl)piperazine-1-carboxylate Traditional Name: 4-(1-besyl-5-chloro-indol-2-yl)sulfonyl-2-(2-ketoethyl)piperazine-1-carboxylic acid tert-butyl ester Formula: C25H28ClN3O7S2 MolecularWeight: 582.08872

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1CC=O)S(=O)(=O)C2=CC3=C(N2S(=O)(=O)C4=CC=CC=C4)C=CC(=C3)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1CC=O)S(=O)(=O)C2=CC3=C(N2S(=O)(=O)C4=CC=CC=C4)C=CC(=C3)Cl

InChI

InChI=1S/C25H28ClN3O7S2/c1-25(2,3)36-24(31)28-13-12-27(17-20(28)11-14-30)38(34,35)23-16-18-15-19(26)9-10-22(18)29(23)37(32,33)21-7-5-4-6-8-21/h4-10,14-16,20H,11-13,17H2,1-3H3