2-[(3-bromophenyl)-methylsulfonyl-amino]-N-(2-methoxy-5-pyrrolidin-1-ylsulfonyl-phenyl)ethanamide

Systemtic Name: 2-[(3-bromophenyl)-methylsulfonyl-amino]-N-(2-methoxy-5-pyrrolidin-1-ylsulfonyl-phenyl)ethanamide Openeye Name: 2-(3-bromo-N-methylsulfonyl-anilino)-N-(2-methoxy-5-pyrrolidin-1-ylsulfonyl-phenyl)acetamide CAS Name: 2-(3-bromo-N-methylsulfonylanilino)-N-[2-methoxy-5-(1-pyrrolidinylsulfonyl)phenyl]acetamide IUPAC Name: 2-(3-bromo-N-methylsulfonylanilino)-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)acetamide Traditional Name: 2-(3-bromo-N-mesyl-anilino)-N-(2-methoxy-5-pyrrolidinosulfonyl-phenyl)acetamide Formula: C20H24BrN3O6S2 MolecularWeight: 546.45506

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)NC(=O)CN(C3=CC(=CC=C3)Br)S(=O)(=O)C

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)NC(=O)CN(C3=CC(=CC=C3)Br)S(=O)(=O)C

InChI

InChI=1S/C20H24BrN3O6S2/c1-30-19-9-8-17(32(28,29)23-10-3-4-11-23)13-18(19)22-20(25)14-24(31(2,26)27)16-7-5-6-15(21)12-16/h5-9,12-13H,3-4,10-11,14H2,1-2H3,(H,22,25)