2-methylsulfanylethyl 4-pyrrolidin-1-ylsulfonylbenzoate

Systemtic Name: 2-methylsulfanylethyl 4-pyrrolidin-1-ylsulfonylbenzoate Openeye Name: 2-methylsulfanylethyl 4-pyrrolidin-1-ylsulfonylbenzoate CAS Name: 4-(1-pyrrolidinylsulfonyl)benzoic acid 2-(methylthio)ethyl ester IUPAC Name: 2-methylsulfanylethyl 4-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-pyrrolidinosulfonylbenzoic acid 2-(methylthio)ethyl ester Formula: C14H19NO4S2 MolecularWeight: 329.43496

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Descriptors Computed from Structure

Canonical SMILES:

CSCCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCCC2

Isomeric SMILES

CSCCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCCC2

InChI

InChI=1S/C14H19NO4S2/c1-20-11-10-19-14(16)12-4-6-13(7-5-12)21(17,18)15-8-2-3-9-15/h4-7H,2-3,8-11H2,1H3