tert-butyl 2-[2-[5-bromanyl-7-(4-methylphenyl)sulfonyloxy-1H-indol-3-yl]ethylcarbamoyl]pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl 2-[2-[5-bromanyl-7-(4-methylphenyl)sulfonyloxy-1H-indol-3-yl]ethylcarbamoyl]pyrrolidine-1-carboxylate Openeye Name: tert-butyl 2-[2-[5-bromo-7-(p-tolylsulfonyloxy)-1H-indol-3-yl]ethylcarbamoyl]pyrrolidine-1-carboxylate CAS Name: 2-[[2-[5-bromo-7-(4-methylphenyl)sulfonyloxy-1H-indol-3-yl]ethylamino]-oxomethyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[2-[5-bromo-7-(4-methylphenyl)sulfonyloxy-1H-indol-3-yl]ethylcarbamoyl]pyrrolidine-1-carboxylate Traditional Name: 2-[2-(5-bromo-7-tosyloxy-1H-indol-3-yl)ethylcarbamoyl]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C27H32BrN3O6S MolecularWeight: 606.52848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C3C(=CC(=C2)Br)C(=CN3)CCNC(=O)C4CCCN4C(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C3C(=CC(=C2)Br)C(=CN3)CCNC(=O)C4CCCN4C(=O)OC(C)(C)C

InChI

InChI=1S/C27H32BrN3O6S/c1-17-7-9-20(10-8-17)38(34,35)37-23-15-19(28)14-21-18(16-30-24(21)23)11-12-29-25(32)22-6-5-13-31(22)26(33)36-27(2,3)4/h7-10,14-16,22,30H,5-6,11-13H2,1-4H3,(H,29,32)