5-methylsulfonyl-N-pentyl-4-(4-phenylpiperidin-1-yl)-2-(2-piperidin-1-ylethylamino)benzamide

Systemtic Name: 5-methylsulfonyl-N-pentyl-4-(4-phenylpiperidin-1-yl)-2-(2-piperidin-1-ylethylamino)benzamide Openeye Name: 5-methylsulfonyl-N-pentyl-4-(4-phenyl-1-piperidyl)-2-[2-(1-piperidyl)ethylamino]benzamide CAS Name: 5-methylsulfonyl-N-pentyl-4-(4-phenyl-1-piperidinyl)-2-[2-(1-piperidinyl)ethylamino]benzamide IUPAC Name: 5-methylsulfonyl-N-pentyl-4-(4-phenylpiperidin-1-yl)-2-(2-piperidin-1-ylethylamino)benzamide Traditional Name: N-amyl-5-mesyl-4-(4-phenylpiperidino)-2-(2-piperidinoethylamino)benzamide Formula: C31H46N4O3S MolecularWeight: 554.78694

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=O)C1=CC(=C(C=C1NCCN2CCCCC2)N3CCC(CC3)C4=CC=CC=C4)S(=O)(=O)C

Isomeric SMILES

CCCCCNC(=O)C1=CC(=C(C=C1NCCN2CCCCC2)N3CCC(CC3)C4=CC=CC=C4)S(=O)(=O)C

InChI

InChI=1S/C31H46N4O3S/c1-3-4-9-16-33-31(36)27-23-30(39(2,37)38)29(24-28(27)32-17-22-34-18-10-6-11-19-34)35-20-14-26(15-21-35)25-12-7-5-8-13-25/h5,7-8,12-13,23-24,26,32H,3-4,6,9-11,14-22H2,1-2H3,(H,33,36)