N-(4-methylphenyl)-2-[4-[3-(pyridin-3-ylsulfonylamino)propanoyl]piperazin-1-yl]ethanamide

Systemtic Name: N-(4-methylphenyl)-2-[4-[3-(pyridin-3-ylsulfonylamino)propanoyl]piperazin-1-yl]ethanamide Openeye Name: N-(p-tolyl)-2-[4-[3-(3-pyridylsulfonylamino)propanoyl]piperazin-1-yl]acetamide CAS Name: N-(4-methylphenyl)-2-[4-[1-oxo-3-(3-pyridinylsulfonylamino)propyl]-1-piperazinyl]acetamide IUPAC Name: N-(4-methylphenyl)-2-[4-[3-(pyridin-3-ylsulfonylamino)propanoyl]piperazin-1-yl]acetamide Traditional Name: N-(p-tolyl)-2-[4-[3-(3-pyridylsulfonylamino)propanoyl]piperazino]acetamide Formula: C21H27N5O4S MolecularWeight: 445.53518

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CN2CCN(CC2)C(=O)CCNS(=O)(=O)C3=CN=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CN2CCN(CC2)C(=O)CCNS(=O)(=O)C3=CN=CC=C3

InChI

InChI=1S/C21H27N5O4S/c1-17-4-6-18(7-5-17)24-20(27)16-25-11-13-26(14-12-25)21(28)8-10-23-31(29,30)19-3-2-9-22-15-19/h2-7,9,15,23H,8,10-14,16H2,1H3,(H,24,27)