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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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