2-[(4-bromanyl-3-methyl-phenyl)-methylsulfonyl-amino]-N-(2-methoxy-5-pyrrolidin-1-ylsulfonyl-phenyl)ethanamide

Systemtic Name: 2-[(4-bromanyl-3-methyl-phenyl)-methylsulfonyl-amino]-N-(2-methoxy-5-pyrrolidin-1-ylsulfonyl-phenyl)ethanamide Openeye Name: 2-(4-bromo-3-methyl-N-methylsulfonyl-anilino)-N-(2-methoxy-5-pyrrolidin-1-ylsulfonyl-phenyl)acetamide CAS Name: 2-(4-bromo-3-methyl-N-methylsulfonylanilino)-N-[2-methoxy-5-(1-pyrrolidinylsulfonyl)phenyl]acetamide IUPAC Name: 2-(4-bromo-3-methyl-N-methylsulfonylanilino)-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)acetamide Traditional Name: 2-(4-bromo-N-mesyl-3-methyl-anilino)-N-(2-methoxy-5-pyrrolidinosulfonyl-phenyl)acetamide Formula: C21H26BrN3O6S2 MolecularWeight: 560.48164

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N(CC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCC3)OC)S(=O)(=O)C)Br

Isomeric SMILES

CC1=C(C=CC(=C1)N(CC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCC3)OC)S(=O)(=O)C)Br

InChI

InChI=1S/C21H26BrN3O6S2/c1-15-12-16(6-8-18(15)22)25(32(3,27)28)14-21(26)23-19-13-17(7-9-20(19)31-2)33(29,30)24-10-4-5-11-24/h6-9,12-13H,4-5,10-11,14H2,1-3H3,(H,23,26)