(2-methoxy-4-pyrrolidin-1-ylcarbothioyl-phenyl) 4-bromanylbenzenesulfonate

Systemtic Name: (2-methoxy-4-pyrrolidin-1-ylcarbothioyl-phenyl) 4-bromanylbenzenesulfonate Openeye Name: [2-methoxy-4-(pyrrolidine-1-carbothioyl)phenyl] 4-bromobenzenesulfonate CAS Name: 4-bromobenzenesulfonic acid [2-methoxy-4-[1-pyrrolidinyl(sulfanylidene)methyl]phenyl] ester IUPAC Name: [2-methoxy-4-(pyrrolidine-1-carbothioyl)phenyl] 4-bromobenzenesulfonate Traditional Name: 4-bromobenzenesulfonic acid [2-methoxy-4-(pyrrolidine-1-carbothioyl)phenyl] ester Formula: C18H18BrNO4S2 MolecularWeight: 456.37382

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=S)N2CCCC2)OS(=O)(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

COC1=C(C=CC(=C1)C(=S)N2CCCC2)OS(=O)(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C18H18BrNO4S2/c1-23-17-12-13(18(25)20-10-2-3-11-20)4-9-16(17)24-26(21,22)15-7-5-14(19)6-8-15/h4-9,12H,2-3,10-11H2,1H3