[1-(4-bromophenyl)-3-ethoxycarbonyl-5-(4-methylphenyl)sulfonyloxy-indol-2-yl]methyl-dimethyl-azanium

Systemtic Name: [1-(4-bromophenyl)-3-ethoxycarbonyl-5-(4-methylphenyl)sulfonyloxy-indol-2-yl]methyl-dimethyl-azanium Openeye Name: [1-(4-bromophenyl)-3-ethoxycarbonyl-5-(p-tolylsulfonyloxy)indol-2-yl]methyl-dimethyl-ammonium CAS Name: [1-(4-bromophenyl)-3-ethoxycarbonyl-5-(4-methylphenyl)sulfonyloxy-2-indolyl]methyl-dimethylammonium IUPAC Name: [1-(4-bromophenyl)-3-ethoxycarbonyl-5-(4-methylphenyl)sulfonyloxyindol-2-yl]methyl-dimethylazanium Traditional Name: [1-(4-bromophenyl)-3-carbethoxy-5-tosyloxy-indol-2-yl]methyl-dimethyl-ammonium Formula: C27H28BrN2O5S+ MolecularWeight: 572.49062

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OS(=O)(=O)C3=CC=C(C=C3)C)C4=CC=C(C=C4)Br)C[NH+](C)C

Isomeric SMILES

CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OS(=O)(=O)C3=CC=C(C=C3)C)C4=CC=C(C=C4)Br)C[NH+](C)C

InChI

InChI=1S/C27H27BrN2O5S/c1-5-34-27(31)26-23-16-21(35-36(32,33)22-13-6-18(2)7-14-22)12-15-24(23)30(25(26)17-29(3)4)20-10-8-19(28)9-11-20/h6-16H,5,17H2,1-4H3/p+1