2-[4-(phenylmethyl)-1,4-diazepan-1-yl]-N-(4-piperidin-1-ylsulfonylphenyl)ethanamide

Systemtic Name: 2-[4-(phenylmethyl)-1,4-diazepan-1-yl]-N-(4-piperidin-1-ylsulfonylphenyl)ethanamide Openeye Name: 2-(4-benzyl-1,4-diazepan-1-yl)-N-[4-(1-piperidylsulfonyl)phenyl]acetamide CAS Name: 2-[4-(phenylmethyl)-1,4-diazepan-1-yl]-N-[4-(1-piperidinylsulfonyl)phenyl]acetamide IUPAC Name: 2-(4-benzyl-1,4-diazepan-1-yl)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide Traditional Name: 2-(4-benzyl-1,4-diazepan-1-yl)-N-(4-piperidinosulfonylphenyl)acetamide Formula: C25H34N4O3S MolecularWeight: 470.62746

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CN3CCCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CN3CCCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C25H34N4O3S/c30-25(21-28-15-7-14-27(18-19-28)20-22-8-3-1-4-9-22)26-23-10-12-24(13-11-23)33(31,32)29-16-5-2-6-17-29/h1,3-4,8-13H,2,5-7,14-21H2,(H,26,30)