5-(4-bromophenyl)carbonyl-6-methylsulfanyl-6-methylsulfonyl-1,2,3,5-tetrahydropyrrolizine-1-carboxylic acid

Systemtic Name: 5-(4-bromophenyl)carbonyl-6-methylsulfanyl-6-methylsulfonyl-1,2,3,5-tetrahydropyrrolizine-1-carboxylic acid Openeye Name: 5-(4-bromobenzoyl)-6-methylsulfanyl-6-methylsulfonyl-1,2,3,5-tetrahydropyrrolizine-1-carboxylic acid CAS Name: 5-[(4-bromophenyl)-oxomethyl]-6-methylsulfonyl-6-(methylthio)-1,2,3,5-tetrahydropyrrolizine-1-carboxylic acid IUPAC Name: 5-(4-bromobenzoyl)-6-methylsulfanyl-6-methylsulfonyl-1,2,3,5-tetrahydropyrrolizine-1-carboxylic acid Traditional Name: 5-(4-bromobenzoyl)-6-mesyl-6-(methylthio)-1,2,3,5-tetrahydropyrrolizine-1-carboxylic acid Formula: C17H18BrNO5S2 MolecularWeight: 460.36252

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1(C=C2C(CCN2C1C(=O)C3=CC=C(C=C3)Br)C(=O)O)S(=O)(=O)C

Isomeric SMILES

CSC1(C=C2C(CCN2C1C(=O)C3=CC=C(C=C3)Br)C(=O)O)S(=O)(=O)C

InChI

InChI=1S/C17H18BrNO5S2/c1-25-17(26(2,23)24)9-13-12(16(21)22)7-8-19(13)15(17)14(20)10-3-5-11(18)6-4-10/h3-6,9,12,15H,7-8H2,1-2H3,(H,21,22)