N-(3-acetamido-4-fluoranyl-phenyl)-2-methyl-5-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: N-(3-acetamido-4-fluoranyl-phenyl)-2-methyl-5-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-(3-acetamido-4-fluoro-phenyl)-2-methyl-5-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-(3-acetamido-4-fluorophenyl)-2-methyl-5-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-(3-acetamido-4-fluorophenyl)-2-methyl-5-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-(3-acetamido-4-fluoro-phenyl)-2-methyl-5-pyrrolidinosulfonyl-benzamide Formula: C20H22FN3O4S MolecularWeight: 419.469783

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)C(=O)NC3=CC(=C(C=C3)F)NC(=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)C(=O)NC3=CC(=C(C=C3)F)NC(=O)C

InChI

InChI=1S/C20H22FN3O4S/c1-13-5-7-16(29(27,28)24-9-3-4-10-24)12-17(13)20(26)23-15-6-8-18(21)19(11-15)22-14(2)25/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,22,25)(H,23,26)