(4-methylsulfanylphenyl)methyl 3-pyrrolidin-1-ylsulfonylbenzoate

Systemtic Name: (4-methylsulfanylphenyl)methyl 3-pyrrolidin-1-ylsulfonylbenzoate Openeye Name: (4-methylsulfanylphenyl)methyl 3-pyrrolidin-1-ylsulfonylbenzoate CAS Name: 3-(1-pyrrolidinylsulfonyl)benzoic acid [4-(methylthio)phenyl]methyl ester IUPAC Name: (4-methylsulfanylphenyl)methyl 3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 3-pyrrolidinosulfonylbenzoic acid [4-(methylthio)benzyl] ester Formula: C19H21NO4S2 MolecularWeight: 391.50434

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)COC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

CSC1=CC=C(C=C1)COC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C19H21NO4S2/c1-25-17-9-7-15(8-10-17)14-24-19(21)16-5-4-6-18(13-16)26(22,23)20-11-2-3-12-20/h4-10,13H,2-3,11-12,14H2,1H3