2-[(3-fluorophenyl)-methylsulfonyl-amino]-N-(4-pyrrolidin-1-ylsulfonylphenyl)ethanamide

Systemtic Name: 2-[(3-fluorophenyl)-methylsulfonyl-amino]-N-(4-pyrrolidin-1-ylsulfonylphenyl)ethanamide Openeye Name: 2-(3-fluoro-N-methylsulfonyl-anilino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide CAS Name: 2-(3-fluoro-N-methylsulfonylanilino)-N-[4-(1-pyrrolidinylsulfonyl)phenyl]acetamide IUPAC Name: 2-(3-fluoro-N-methylsulfonylanilino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide Traditional Name: 2-(3-fluoro-N-mesyl-anilino)-N-(4-pyrrolidinosulfonylphenyl)acetamide Formula: C19H22FN3O5S2 MolecularWeight: 455.523483

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCC2)C3=CC(=CC=C3)F

Isomeric SMILES

CS(=O)(=O)N(CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCC2)C3=CC(=CC=C3)F

InChI

InChI=1S/C19H22FN3O5S2/c1-29(25,26)23(17-6-4-5-15(20)13-17)14-19(24)21-16-7-9-18(10-8-16)30(27,28)22-11-2-3-12-22/h4-10,13H,2-3,11-12,14H2,1H3,(H,21,24)