tert-butyl N-[(2S)-2-azido-2-[6-bromanyl-1-(4-methylphenyl)sulfonyl-indol-3-yl]ethyl]carbamate

Systemtic Name: tert-butyl N-[(2S)-2-azido-2-[6-bromanyl-1-(4-methylphenyl)sulfonyl-indol-3-yl]ethyl]carbamate Openeye Name: tert-butyl N-[(2S)-2-azido-2-[6-bromo-1-(p-tolylsulfonyl)indol-3-yl]ethyl]carbamate CAS Name: N-[(2S)-2-azido-2-[6-bromo-1-(4-methylphenyl)sulfonyl-3-indolyl]ethyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2S)-2-azido-2-[6-bromo-1-(4-methylphenyl)sulfonylindol-3-yl]ethyl]carbamate Traditional Name: N-[(2S)-2-azido-2-(6-bromo-1-tosyl-indol-3-yl)ethyl]carbamic acid tert-butyl ester Formula: C22H24BrN5O4S MolecularWeight: 534.42606

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=C2C=C(C=C3)Br)C(CNC(=O)OC(C)(C)C)N=[N+]=[N-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=C2C=C(C=C3)Br)[C@@H](CNC(=O)OC(C)(C)C)N=[N+]=[N-]

InChI

InChI=1S/C22H24BrN5O4S/c1-14-5-8-16(9-6-14)33(30,31)28-13-18(17-10-7-15(23)11-20(17)28)19(26-27-24)12-25-21(29)32-22(2,3)4/h5-11,13,19H,12H2,1-4H3,(H,25,29)/t19-/m1/s1