4-fluoranyl-N-[(2S)-3-methyl-1-oxidanylidene-1-[(4-pyrrolidin-1-ylsulfonylphenyl)amino]butan-2-yl]benzamide

Systemtic Name: 4-fluoranyl-N-[(2S)-3-methyl-1-oxidanylidene-1-[(4-pyrrolidin-1-ylsulfonylphenyl)amino]butan-2-yl]benzamide Openeye Name: 4-fluoro-N-[(1S)-2-methyl-1-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamoyl]propyl]benzamide CAS Name: 4-fluoro-N-[(2S)-3-methyl-1-oxo-1-[4-(1-pyrrolidinylsulfonyl)anilino]butan-2-yl]benzamide IUPAC Name: 4-fluoro-N-[(2S)-3-methyl-1-oxo-1-(4-pyrrolidin-1-ylsulfonylanilino)butan-2-yl]benzamide Traditional Name: 4-fluoro-N-[(1S)-2-methyl-1-[(4-pyrrolidinosulfonylphenyl)carbamoyl]propyl]benzamide Formula: C22H26FN3O4S MolecularWeight: 447.522943

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCC2)NC(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CC(C)[C@@H](C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCC2)NC(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C22H26FN3O4S/c1-15(2)20(25-21(27)16-5-7-17(23)8-6-16)22(28)24-18-9-11-19(12-10-18)31(29,30)26-13-3-4-14-26/h5-12,15,20H,3-4,13-14H2,1-2H3,(H,24,28)(H,25,27)/t20-/m0/s1