tert-butyl 4-[2-iodanyl-1-(phenylsulfonyl)indol-4-yl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[2-iodanyl-1-(phenylsulfonyl)indol-4-yl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[1-(benzenesulfonyl)-2-iodo-indol-4-yl]piperazine-1-carboxylate CAS Name: 4-[1-(benzenesulfonyl)-2-iodo-4-indolyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[1-(benzenesulfonyl)-2-iodoindol-4-yl]piperazine-1-carboxylate Traditional Name: 4-(1-besyl-2-iodo-indol-4-yl)piperazine-1-carboxylic acid tert-butyl ester Formula: C23H26IN3O4S MolecularWeight: 567.43971

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C2=CC=CC3=C2C=C(N3S(=O)(=O)C4=CC=CC=C4)I

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2=CC=CC3=C2C=C(N3S(=O)(=O)C4=CC=CC=C4)I

InChI

InChI=1S/C23H26IN3O4S/c1-23(2,3)31-22(28)26-14-12-25(13-15-26)19-10-7-11-20-18(19)16-21(24)27(20)32(29,30)17-8-5-4-6-9-17/h4-11,16H,12-15H2,1-3H3