4-(furan-2-ylmethylsulfanyl)-1-(4-methylphenyl)sulfonyl-pyrrolidine-2-carboxylic acid

Systemtic Name: 4-(furan-2-ylmethylsulfanyl)-1-(4-methylphenyl)sulfonyl-pyrrolidine-2-carboxylic acid Openeye Name: 4-(2-furylmethylsulfanyl)-1-(p-tolylsulfonyl)pyrrolidine-2-carboxylic acid CAS Name: 4-(2-furanylmethylthio)-1-(4-methylphenyl)sulfonyl-2-pyrrolidinecarboxylic acid IUPAC Name: 4-(furan-2-ylmethylsulfanyl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylic acid Traditional Name: 4-(2-furfurylthio)-1-tosyl-proline Formula: C17H19NO5S2 MolecularWeight: 381.46646

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC(CC2C(=O)O)SCC3=CC=CO3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC(CC2C(=O)O)SCC3=CC=CO3

InChI

InChI=1S/C17H19NO5S2/c1-12-4-6-15(7-5-12)25(21,22)18-10-14(9-16(18)17(19)20)24-11-13-3-2-8-23-13/h2-8,14,16H,9-11H2,1H3,(H,19,20)