N-[(S)-cyano-(4-fluorophenyl)methyl]-2-methyl-5-morpholin-4-ylsulfonyl-benzamide

Systemtic Name: N-[(S)-cyano-(4-fluorophenyl)methyl]-2-methyl-5-morpholin-4-ylsulfonyl-benzamide Openeye Name: N-[(S)-cyano-(4-fluorophenyl)methyl]-2-methyl-5-morpholinosulfonyl-benzamide CAS Name: N-[(S)-cyano-(4-fluorophenyl)methyl]-2-methyl-5-(4-morpholinylsulfonyl)benzamide IUPAC Name: N-[(S)-cyano-(4-fluorophenyl)methyl]-2-methyl-5-morpholin-4-ylsulfonylbenzamide Traditional Name: N-[(S)-cyano-(4-fluorophenyl)methyl]-2-methyl-5-morpholinosulfonyl-benzamide Formula: C20H20FN3O4S MolecularWeight: 417.453903

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)C(=O)NC(C#N)C3=CC=C(C=C3)F

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)C(=O)N[C@H](C#N)C3=CC=C(C=C3)F

InChI

InChI=1S/C20H20FN3O4S/c1-14-2-7-17(29(26,27)24-8-10-28-11-9-24)12-18(14)20(25)23-19(13-22)15-3-5-16(21)6-4-15/h2-7,12,19H,8-11H2,1H3,(H,23,25)/t19-/m1/s1