2-[4-[(4-cyanophenyl)methyl]-1,4-diazepan-1-yl]-N-(4-morpholin-4-ylsulfonylphenyl)ethanamide

Systemtic Name: 2-[4-[(4-cyanophenyl)methyl]-1,4-diazepan-1-yl]-N-(4-morpholin-4-ylsulfonylphenyl)ethanamide Openeye Name: 2-[4-[(4-cyanophenyl)methyl]-1,4-diazepan-1-yl]-N-(4-morpholinosulfonylphenyl)acetamide CAS Name: 2-[4-[(4-cyanophenyl)methyl]-1,4-diazepan-1-yl]-N-[4-(4-morpholinylsulfonyl)phenyl]acetamide IUPAC Name: 2-[4-[(4-cyanophenyl)methyl]-1,4-diazepan-1-yl]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide Traditional Name: 2-[4-(4-cyanobenzyl)-1,4-diazepan-1-yl]-N-(4-morpholinosulfonylphenyl)acetamide Formula: C25H31N5O4S MolecularWeight: 497.60974

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)CC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)CC4=CC=C(C=C4)C#N

Isomeric SMILES

C1CN(CCN(C1)CC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)CC4=CC=C(C=C4)C#N

InChI

InChI=1S/C25H31N5O4S/c26-18-21-2-4-22(5-3-21)19-28-10-1-11-29(13-12-28)20-25(31)27-23-6-8-24(9-7-23)35(32,33)30-14-16-34-17-15-30/h2-9H,1,10-17,19-20H2,(H,27,31)