N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-(2-methoxyphenoxy)ethanamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-(2-methoxyphenoxy)ethanamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-(2-methoxyphenoxy)acetamide CAS Name: N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-2-(2-methoxyphenoxy)acetamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2-(2-methoxyphenoxy)acetamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-(2-methoxyphenoxy)acetamide Formula: C22H28N2O5S MolecularWeight: 432.53312

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)COC2=CC=CC=C2OC)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)COC2=CC=CC=C2OC)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C22H28N2O5S/c1-17-11-12-18(15-21(17)30(26,27)24-13-7-3-4-8-14-24)23-22(25)16-29-20-10-6-5-9-19(20)28-2/h5-6,9-12,15H,3-4,7-8,13-14,16H2,1-2H3,(H,23,25)