N-[(3-fluoranyl-4-methyl-phenyl)methyl]-4-methylsulfonyl-1,4-diazepane-1-carboxamide

Systemtic Name: N-[(3-fluoranyl-4-methyl-phenyl)methyl]-4-methylsulfonyl-1,4-diazepane-1-carboxamide Openeye Name: N-[(3-fluoro-4-methyl-phenyl)methyl]-4-methylsulfonyl-1,4-diazepane-1-carboxamide CAS Name: N-[(3-fluoro-4-methylphenyl)methyl]-4-methylsulfonyl-1,4-diazepane-1-carboxamide IUPAC Name: N-[(3-fluoro-4-methylphenyl)methyl]-4-methylsulfonyl-1,4-diazepane-1-carboxamide Traditional Name: N-(3-fluoro-4-methyl-benzyl)-4-mesyl-1,4-diazepane-1-carboxamide Formula: C15H22FN3O3S MolecularWeight: 343.416883

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CNC(=O)N2CCCN(CC2)S(=O)(=O)C)F

Isomeric SMILES

CC1=C(C=C(C=C1)CNC(=O)N2CCCN(CC2)S(=O)(=O)C)F

InChI

InChI=1S/C15H22FN3O3S/c1-12-4-5-13(10-14(12)16)11-17-15(20)18-6-3-7-19(9-8-18)23(2,21)22/h4-5,10H,3,6-9,11H2,1-2H3,(H,17,20)