N-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-4-[(4-chloranyl-2-fluoranyl-phenyl)sulfonylamino]benzamide

Systemtic Name: N-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-4-[(4-chloranyl-2-fluoranyl-phenyl)sulfonylamino]benzamide Openeye Name: N-[2-(azepan-1-yl)-2-oxo-ethyl]-4-[(4-chloro-2-fluoro-phenyl)sulfonylamino]benzamide CAS Name: N-[2-(1-azepanyl)-2-oxoethyl]-4-[(4-chloro-2-fluorophenyl)sulfonylamino]benzamide IUPAC Name: N-[2-(azepan-1-yl)-2-oxoethyl]-4-[(4-chloro-2-fluorophenyl)sulfonylamino]benzamide Traditional Name: N-[2-(azepan-1-yl)-2-keto-ethyl]-4-[(4-chloro-2-fluoro-phenyl)sulfonylamino]benzamide Formula: C21H23ClFN3O4S MolecularWeight: 467.941423

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CNC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=C(C=C(C=C3)Cl)F

Isomeric SMILES

C1CCCN(CC1)C(=O)CNC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=C(C=C(C=C3)Cl)F

InChI

InChI=1S/C21H23ClFN3O4S/c22-16-7-10-19(18(23)13-16)31(29,30)25-17-8-5-15(6-9-17)21(28)24-14-20(27)26-11-3-1-2-4-12-26/h5-10,13,25H,1-4,11-12,14H2,(H,24,28)