(4-methylsulfanylphenyl)methyl 4-methoxy-3-pyrrolidin-1-ylsulfonyl-benzoate

Systemtic Name: (4-methylsulfanylphenyl)methyl 4-methoxy-3-pyrrolidin-1-ylsulfonyl-benzoate Openeye Name: (4-methylsulfanylphenyl)methyl 4-methoxy-3-pyrrolidin-1-ylsulfonyl-benzoate CAS Name: 4-methoxy-3-(1-pyrrolidinylsulfonyl)benzoic acid [4-(methylthio)phenyl]methyl ester IUPAC Name: (4-methylsulfanylphenyl)methyl 4-methoxy-3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-methoxy-3-pyrrolidinosulfonyl-benzoic acid [4-(methylthio)benzyl] ester Formula: C20H23NO5S2 MolecularWeight: 421.53032

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OCC2=CC=C(C=C2)SC)S(=O)(=O)N3CCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OCC2=CC=C(C=C2)SC)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C20H23NO5S2/c1-25-18-10-7-16(13-19(18)28(23,24)21-11-3-4-12-21)20(22)26-14-15-5-8-17(27-2)9-6-15/h5-10,13H,3-4,11-12,14H2,1-2H3