N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3-fluoranyl-benzenesulfonamide

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3-fluoranyl-benzenesulfonamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3-fluoro-benzenesulfonamide CAS Name: N-[5-(1-azepanylsulfonyl)-2-methoxyphenyl]-3-fluorobenzenesulfonamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-3-fluorobenzenesulfonamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3-fluoro-benzenesulfonamide Formula: C19H23FN2O5S2 MolecularWeight: 442.524723

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NS(=O)(=O)C3=CC=CC(=C3)F

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NS(=O)(=O)C3=CC=CC(=C3)F

InChI

InChI=1S/C19H23FN2O5S2/c1-27-19-10-9-17(29(25,26)22-11-4-2-3-5-12-22)14-18(19)21-28(23,24)16-8-6-7-15(20)13-16/h6-10,13-14,21H,2-5,11-12H2,1H3