4-[(4-fluorophenyl)-methylsulfonyl-amino]-N-(2-methoxy-5-pyrrolidin-1-ylsulfonyl-phenyl)butanamide

Systemtic Name: 4-[(4-fluorophenyl)-methylsulfonyl-amino]-N-(2-methoxy-5-pyrrolidin-1-ylsulfonyl-phenyl)butanamide Openeye Name: 4-(4-fluoro-N-methylsulfonyl-anilino)-N-(2-methoxy-5-pyrrolidin-1-ylsulfonyl-phenyl)butanamide CAS Name: 4-(4-fluoro-N-methylsulfonylanilino)-N-[2-methoxy-5-(1-pyrrolidinylsulfonyl)phenyl]butanamide IUPAC Name: 4-(4-fluoro-N-methylsulfonylanilino)-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)butanamide Traditional Name: 4-(4-fluoro-N-mesyl-anilino)-N-(2-methoxy-5-pyrrolidinosulfonyl-phenyl)butyramide Formula: C22H28FN3O6S2 MolecularWeight: 513.602623

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)NC(=O)CCCN(C3=CC=C(C=C3)F)S(=O)(=O)C

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)NC(=O)CCCN(C3=CC=C(C=C3)F)S(=O)(=O)C

InChI

InChI=1S/C22H28FN3O6S2/c1-32-21-12-11-19(34(30,31)25-13-3-4-14-25)16-20(21)24-22(27)6-5-15-26(33(2,28)29)18-9-7-17(23)8-10-18/h7-12,16H,3-6,13-15H2,1-2H3,(H,24,27)