N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-3-fluoranyl-4-methoxy-benzenesulfonamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-3-fluoranyl-4-methoxy-benzenesulfonamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-3-fluoro-4-methoxy-benzenesulfonamide CAS Name: N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-3-fluoro-4-methoxybenzenesulfonamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-3-fluoro-4-methoxybenzenesulfonamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-3-fluoro-4-methoxy-benzenesulfonamide Formula: C20H25FN2O5S2 MolecularWeight: 456.551303

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)OC)F)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)OC)F)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C20H25FN2O5S2/c1-15-7-8-16(13-20(15)30(26,27)23-11-5-3-4-6-12-23)22-29(24,25)17-9-10-19(28-2)18(21)14-17/h7-10,13-14,22H,3-6,11-12H2,1-2H3