(2S)-N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(4-fluoranylphenoxy)propanamide

Systemtic Name: (2S)-N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(4-fluoranylphenoxy)propanamide Openeye Name: (2S)-N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(4-fluorophenoxy)propanamide CAS Name: (2S)-N-[4-(1-azepanylsulfonyl)phenyl]-2-(4-fluorophenoxy)propanamide IUPAC Name: (2S)-N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(4-fluorophenoxy)propanamide Traditional Name: (2S)-N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(4-fluorophenoxy)propionamide Formula: C21H25FN2O4S MolecularWeight: 420.497603

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCCCC2)OC3=CC=C(C=C3)F

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCCCC2)OC3=CC=C(C=C3)F

InChI

InChI=1S/C21H25FN2O4S/c1-16(28-19-10-6-17(22)7-11-19)21(25)23-18-8-12-20(13-9-18)29(26,27)24-14-4-2-3-5-15-24/h6-13,16H,2-5,14-15H2,1H3,(H,23,25)/t16-/m0/s1