(2S)-N-(4-chloranyl-2-fluoranyl-phenyl)-2-(4-methylsulfonyl-1,4-diazepan-1-yl)propanamide

Systemtic Name: (2S)-N-(4-chloranyl-2-fluoranyl-phenyl)-2-(4-methylsulfonyl-1,4-diazepan-1-yl)propanamide Openeye Name: (2S)-N-(4-chloro-2-fluoro-phenyl)-2-(4-methylsulfonyl-1,4-diazepan-1-yl)propanamide CAS Name: (2S)-N-(4-chloro-2-fluorophenyl)-2-(4-methylsulfonyl-1,4-diazepan-1-yl)propanamide IUPAC Name: (2S)-N-(4-chloro-2-fluorophenyl)-2-(4-methylsulfonyl-1,4-diazepan-1-yl)propanamide Traditional Name: (2S)-N-(4-chloro-2-fluoro-phenyl)-2-(4-mesyl-1,4-diazepan-1-yl)propionamide Formula: C15H21ClFN3O3S MolecularWeight: 377.861943

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=C(C=C1)Cl)F)N2CCCN(CC2)S(=O)(=O)C

Isomeric SMILES

C[C@@H](C(=O)NC1=C(C=C(C=C1)Cl)F)N2CCCN(CC2)S(=O)(=O)C

InChI

InChI=1S/C15H21ClFN3O3S/c1-11(15(21)18-14-5-4-12(16)10-13(14)17)19-6-3-7-20(9-8-19)24(2,22)23/h4-5,10-11H,3,6-9H2,1-2H3,(H,18,21)/t11-/m0/s1