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

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

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

Isomeric SMILES

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

InChI

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