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

Systemtic Name: tert-butyl N-[1-[4-bromanyl-1-(4-methylphenyl)sulfonyl-indol-3-yl]but-3-yn-2-yl]-N-methyl-carbamate Openeye Name: tert-butyl N-[1-[[4-bromo-1-(p-tolylsulfonyl)indol-3-yl]methyl]prop-2-ynyl]-N-methyl-carbamate CAS Name: N-[1-[4-bromo-1-(4-methylphenyl)sulfonyl-3-indolyl]but-3-yn-2-yl]-N-methylcarbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[1-[4-bromo-1-(4-methylphenyl)sulfonylindol-3-yl]but-3-yn-2-yl]-N-methylcarbamate Traditional Name: N-[1-[(4-bromo-1-tosyl-indol-3-yl)methyl]prop-2-ynyl]-N-methyl-carbamic acid tert-butyl ester Formula: C25H27BrN2O4S MolecularWeight: 531.46188

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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)N(C)C(=O)OC(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C25H27BrN2O4S/c1-7-19(27(6)24(29)32-25(3,4)5)15-18-16-28(22-10-8-9-21(26)23(18)22)33(30,31)20-13-11-17(2)12-14-20/h1,8-14,16,19H,15H2,2-6H3