N-[2-[[3-(azepan-1-ylsulfonyl)phenyl]amino]-2-oxidanylidene-ethyl]-4-fluoranyl-benzamide

Systemtic Name: N-[2-[[3-(azepan-1-ylsulfonyl)phenyl]amino]-2-oxidanylidene-ethyl]-4-fluoranyl-benzamide Openeye Name: N-[2-[3-(azepan-1-ylsulfonyl)anilino]-2-oxo-ethyl]-4-fluoro-benzamide CAS Name: N-[2-[3-(1-azepanylsulfonyl)anilino]-2-oxoethyl]-4-fluorobenzamide IUPAC Name: N-[2-[3-(azepan-1-ylsulfonyl)anilino]-2-oxoethyl]-4-fluorobenzamide Traditional Name: N-[2-[3-(azepan-1-ylsulfonyl)anilino]-2-keto-ethyl]-4-fluoro-benzamide Formula: C21H24FN3O4S MolecularWeight: 433.496363

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CNC(=O)C3=CC=C(C=C3)F

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CNC(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H24FN3O4S/c22-17-10-8-16(9-11-17)21(27)23-15-20(26)24-18-6-5-7-19(14-18)30(28,29)25-12-3-1-2-4-13-25/h5-11,14H,1-4,12-13,15H2,(H,23,27)(H,24,26)