N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2,5-dimethoxy-benzenesulfonamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2,5-dimethoxy-benzenesulfonamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2,5-dimethoxy-benzenesulfonamide CAS Name: N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-2,5-dimethoxybenzenesulfonamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2,5-dimethoxybenzenesulfonamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2,5-dimethoxy-benzenesulfonamide Formula: C21H28N2O6S2 MolecularWeight: 468.58682

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N2O6S2/c1-16-8-9-17(14-20(16)31(26,27)23-12-6-4-5-7-13-23)22-30(24,25)21-15-18(28-2)10-11-19(21)29-3/h8-11,14-15,22H,4-7,12-13H2,1-3H3