N-[4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-1,3-thiazol-2-yl]-4-fluoranyl-benzenesulfonamide

Systemtic Name: N-[4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-1,3-thiazol-2-yl]-4-fluoranyl-benzenesulfonamide Openeye Name: N-[4-[2-(azepan-1-yl)-2-oxo-ethyl]thiazol-2-yl]-4-fluoro-benzenesulfonamide CAS Name: N-[4-[2-(1-azepanyl)-2-oxoethyl]-2-thiazolyl]-4-fluorobenzenesulfonamide IUPAC Name: N-[4-[2-(azepan-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]-4-fluorobenzenesulfonamide Traditional Name: N-[4-[2-(azepan-1-yl)-2-keto-ethyl]thiazol-2-yl]-4-fluoro-benzenesulfonamide Formula: C17H20FN3O3S2 MolecularWeight: 397.487403

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CC2=CSC(=N2)NS(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

C1CCCN(CC1)C(=O)CC2=CSC(=N2)NS(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C17H20FN3O3S2/c18-13-5-7-15(8-6-13)26(23,24)20-17-19-14(12-25-17)11-16(22)21-9-3-1-2-4-10-21/h5-8,12H,1-4,9-11H2,(H,19,20)