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

Systemtic Name: tert-butyl 4-[5-chloranyl-1-(phenylsulfonyl)indol-2-yl]sulfonylpiperazine-1-carboxylate Openeye Name: tert-butyl 4-[1-(benzenesulfonyl)-5-chloro-indol-2-yl]sulfonylpiperazine-1-carboxylate CAS Name: 4-[[1-(benzenesulfonyl)-5-chloro-2-indolyl]sulfonyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[1-(benzenesulfonyl)-5-chloroindol-2-yl]sulfonylpiperazine-1-carboxylate Traditional Name: 4-(1-besyl-5-chloro-indol-2-yl)sulfonylpiperazine-1-carboxylic acid tert-butyl ester Formula: C23H26ClN3O6S2 MolecularWeight: 540.05204

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)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(CC1)S(=O)(=O)C2=CC3=C(N2S(=O)(=O)C4=CC=CC=C4)C=CC(=C3)Cl

InChI

InChI=1S/C23H26ClN3O6S2/c1-23(2,3)33-22(28)25-11-13-26(14-12-25)35(31,32)21-16-17-15-18(24)9-10-20(17)27(21)34(29,30)19-7-5-4-6-8-19/h4-10,15-16H,11-14H2,1-3H3