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

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-(3,5-dimethoxyphenoxy)ethanamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-(3,5-dimethoxyphenoxy)acetamide CAS Name: N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-2-(3,5-dimethoxyphenoxy)acetamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2-(3,5-dimethoxyphenoxy)acetamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-(3,5-dimethoxyphenoxy)acetamide Formula: C23H30N2O6S MolecularWeight: 462.5591

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)COC2=CC(=CC(=C2)OC)OC)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)COC2=CC(=CC(=C2)OC)OC)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C23H30N2O6S/c1-17-8-9-18(12-22(17)32(27,28)25-10-6-4-5-7-11-25)24-23(26)16-31-21-14-19(29-2)13-20(15-21)30-3/h8-9,12-15H,4-7,10-11,16H2,1-3H3,(H,24,26)