2-[3,4-bis(pyrrolidin-1-ylsulfonyl)pyrrol-1-yl]-N-(3-fluoranyl-4-methyl-phenyl)ethanamide

Systemtic Name: 2-[3,4-bis(pyrrolidin-1-ylsulfonyl)pyrrol-1-yl]-N-(3-fluoranyl-4-methyl-phenyl)ethanamide Openeye Name: 2-[3,4-bis(pyrrolidin-1-ylsulfonyl)pyrrol-1-yl]-N-(3-fluoro-4-methyl-phenyl)acetamide CAS Name: 2-[3,4-bis(1-pyrrolidinylsulfonyl)-1-pyrrolyl]-N-(3-fluoro-4-methylphenyl)acetamide IUPAC Name: 2-[3,4-bis(pyrrolidin-1-ylsulfonyl)pyrrol-1-yl]-N-(3-fluoro-4-methylphenyl)acetamide Traditional Name: 2-[3,4-bis(pyrrolidinosulfonyl)pyrrol-1-yl]-N-(3-fluoro-4-methyl-phenyl)acetamide Formula: C21H27FN4O5S2 MolecularWeight: 498.591283

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CN2C=C(C(=C2)S(=O)(=O)N3CCCC3)S(=O)(=O)N4CCCC4)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CN2C=C(C(=C2)S(=O)(=O)N3CCCC3)S(=O)(=O)N4CCCC4)F

InChI

InChI=1S/C21H27FN4O5S2/c1-16-6-7-17(12-18(16)22)23-21(27)15-24-13-19(32(28,29)25-8-2-3-9-25)20(14-24)33(30,31)26-10-4-5-11-26/h6-7,12-14H,2-5,8-11,15H2,1H3,(H,23,27)