3-bromanyl-N-[2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-2-oxidanylidene-ethyl]benzamide

Systemtic Name: 3-bromanyl-N-[2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-2-oxidanylidene-ethyl]benzamide Openeye Name: 3-bromo-N-[2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-2-oxo-ethyl]benzamide CAS Name: 3-bromo-N-[2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-2-oxoethyl]benzamide IUPAC Name: 3-bromo-N-[2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-2-oxoethyl]benzamide Traditional Name: 3-bromo-N-[2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-2-keto-ethyl]benzamide Formula: C20H21BrFN3O4S MolecularWeight: 498.365843

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)S(=O)(=O)C2=CC=C(C=C2)F)C(=O)CNC(=O)C3=CC(=CC=C3)Br

Isomeric SMILES

C1CN(CCN(C1)S(=O)(=O)C2=CC=C(C=C2)F)C(=O)CNC(=O)C3=CC(=CC=C3)Br

InChI

InChI=1S/C20H21BrFN3O4S/c21-16-4-1-3-15(13-16)20(27)23-14-19(26)24-9-2-10-25(12-11-24)30(28,29)18-7-5-17(22)6-8-18/h1,3-8,13H,2,9-12,14H2,(H,23,27)