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

Systemtic Name: (2-methoxy-4-pyrrolidin-1-ylcarbothioyl-phenyl) 4-chloranylbenzenesulfonate Openeye Name: [2-methoxy-4-(pyrrolidine-1-carbothioyl)phenyl] 4-chlorobenzenesulfonate CAS Name: 4-chlorobenzenesulfonic acid [2-methoxy-4-[1-pyrrolidinyl(sulfanylidene)methyl]phenyl] ester IUPAC Name: [2-methoxy-4-(pyrrolidine-1-carbothioyl)phenyl] 4-chlorobenzenesulfonate Traditional Name: 4-chlorobenzenesulfonic acid [2-methoxy-4-(pyrrolidine-1-carbothioyl)phenyl] ester Formula: C18H18ClNO4S2 MolecularWeight: 411.92282

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C18H18ClNO4S2/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