tert-butyl N-[(2R)-1-[4-bromanyl-1-(4-methylphenyl)sulfonyl-indol-3-yl]but-3-yn-2-yl]carbamate

Systemtic Name: tert-butyl N-[(2R)-1-[4-bromanyl-1-(4-methylphenyl)sulfonyl-indol-3-yl]but-3-yn-2-yl]carbamate Openeye Name: tert-butyl N-[(1R)-1-[[4-bromo-1-(p-tolylsulfonyl)indol-3-yl]methyl]prop-2-ynyl]carbamate CAS Name: N-[(2R)-1-[4-bromo-1-(4-methylphenyl)sulfonyl-3-indolyl]but-3-yn-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2R)-1-[4-bromo-1-(4-methylphenyl)sulfonylindol-3-yl]but-3-yn-2-yl]carbamate Traditional Name: N-[(1R)-1-[(4-bromo-1-tosyl-indol-3-yl)methyl]prop-2-ynyl]carbamic acid tert-butyl ester Formula: C24H25BrN2O4S MolecularWeight: 517.4353

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=C2C=CC=C3Br)CC(C#C)NC(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=C2C=CC=C3Br)C[C@H](C#C)NC(=O)OC(C)(C)C

InChI

InChI=1S/C24H25BrN2O4S/c1-6-18(26-23(28)31-24(3,4)5)14-17-15-27(21-9-7-8-20(25)22(17)21)32(29,30)19-12-10-16(2)11-13-19/h1,7-13,15,18H,14H2,2-5H3,(H,26,28)/t18-/m0/s1