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

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-(3-ethylphenoxy)ethanamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-(3-ethylphenoxy)acetamide CAS Name: N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-2-(3-ethylphenoxy)acetamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2-(3-ethylphenoxy)acetamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-(3-ethylphenoxy)acetamide Formula: C23H30N2O4S MolecularWeight: 430.5603

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)OCC(=O)NC2=CC(=C(C=C2)C)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CCC1=CC(=CC=C1)OCC(=O)NC2=CC(=C(C=C2)C)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C23H30N2O4S/c1-3-19-9-8-10-21(15-19)29-17-23(26)24-20-12-11-18(2)22(16-20)30(27,28)25-13-6-4-5-7-14-25/h8-12,15-16H,3-7,13-14,17H2,1-2H3,(H,24,26)