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

Systemtic Name: N-[2-(azepan-1-yl)-5-morpholin-4-ylsulfonyl-phenyl]-2-(4-cyanophenoxy)ethanamide Openeye Name: N-[2-(azepan-1-yl)-5-morpholinosulfonyl-phenyl]-2-(4-cyanophenoxy)acetamide CAS Name: N-[2-(1-azepanyl)-5-(4-morpholinylsulfonyl)phenyl]-2-(4-cyanophenoxy)acetamide IUPAC Name: N-[2-(azepan-1-yl)-5-morpholin-4-ylsulfonylphenyl]-2-(4-cyanophenoxy)acetamide Traditional Name: N-[2-(azepan-1-yl)-5-morpholinosulfonyl-phenyl]-2-(4-cyanophenoxy)acetamide Formula: C25H30N4O5S MolecularWeight: 498.5945

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)NC(=O)COC4=CC=C(C=C4)C#N

Isomeric SMILES

C1CCCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)NC(=O)COC4=CC=C(C=C4)C#N

InChI

InChI=1S/C25H30N4O5S/c26-18-20-5-7-21(8-6-20)34-19-25(30)27-23-17-22(35(31,32)29-13-15-33-16-14-29)9-10-24(23)28-11-3-1-2-4-12-28/h5-10,17H,1-4,11-16,19H2,(H,27,30)