N-(4-fluorophenyl)-4-methylsulfonyl-1,4-diazepane-1-carboxamide

Systemtic Name: N-(4-fluorophenyl)-4-methylsulfonyl-1,4-diazepane-1-carboxamide Openeye Name: N-(4-fluorophenyl)-4-methylsulfonyl-1,4-diazepane-1-carboxamide CAS Name: N-(4-fluorophenyl)-4-methylsulfonyl-1,4-diazepane-1-carboxamide IUPAC Name: N-(4-fluorophenyl)-4-methylsulfonyl-1,4-diazepane-1-carboxamide Traditional Name: N-(4-fluorophenyl)-4-mesyl-1,4-diazepane-1-carboxamide Formula: C13H18FN3O3S MolecularWeight: 315.363723

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCCN(CC1)C(=O)NC2=CC=C(C=C2)F

Isomeric SMILES

CS(=O)(=O)N1CCCN(CC1)C(=O)NC2=CC=C(C=C2)F

InChI

InChI=1S/C13H18FN3O3S/c1-21(19,20)17-8-2-7-16(9-10-17)13(18)15-12-5-3-11(14)4-6-12/h3-6H,2,7-10H2,1H3,(H,15,18)