N-[2-(azepan-1-yl)-5-morpholin-4-ylsulfonyl-phenyl]-2-(2-ethylphenoxy)ethanamide

Systemtic Name: N-[2-(azepan-1-yl)-5-morpholin-4-ylsulfonyl-phenyl]-2-(2-ethylphenoxy)ethanamide Openeye Name: N-[2-(azepan-1-yl)-5-morpholinosulfonyl-phenyl]-2-(2-ethylphenoxy)acetamide CAS Name: N-[2-(1-azepanyl)-5-(4-morpholinylsulfonyl)phenyl]-2-(2-ethylphenoxy)acetamide IUPAC Name: N-[2-(azepan-1-yl)-5-morpholin-4-ylsulfonylphenyl]-2-(2-ethylphenoxy)acetamide Traditional Name: N-[2-(azepan-1-yl)-5-morpholinosulfonyl-phenyl]-2-(2-ethylphenoxy)acetamide Formula: C26H35N3O5S MolecularWeight: 501.6382

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1OCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)N4CCCCCC4

Isomeric SMILES

CCC1=CC=CC=C1OCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)N4CCCCCC4

InChI

InChI=1S/C26H35N3O5S/c1-2-21-9-5-6-10-25(21)34-20-26(30)27-23-19-22(35(31,32)29-15-17-33-18-16-29)11-12-24(23)28-13-7-3-4-8-14-28/h5-6,9-12,19H,2-4,7-8,13-18,20H2,1H3,(H,27,30)