N-(2-morpholin-4-ylethyl)-5-(octylsulfonylamino)-2-[4-(phenylmethyl)piperazin-1-yl]benzamide

Systemtic Name: N-(2-morpholin-4-ylethyl)-5-(octylsulfonylamino)-2-[4-(phenylmethyl)piperazin-1-yl]benzamide Openeye Name: 2-(4-benzylpiperazin-1-yl)-N-(2-morpholinoethyl)-5-(octylsulfonylamino)benzamide CAS Name: N-[2-(4-morpholinyl)ethyl]-5-(octylsulfonylamino)-2-[4-(phenylmethyl)-1-piperazinyl]benzamide IUPAC Name: 2-(4-benzylpiperazin-1-yl)-N-(2-morpholin-4-ylethyl)-5-(octylsulfonylamino)benzamide Traditional Name: 2-(4-benzylpiperazino)-N-(2-morpholinoethyl)-5-(octylsulfonylamino)benzamide Formula: C32H49N5O4S MolecularWeight: 599.82756

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCS(=O)(=O)NC1=CC(=C(C=C1)N2CCN(CC2)CC3=CC=CC=C3)C(=O)NCCN4CCOCC4

Isomeric SMILES

CCCCCCCCS(=O)(=O)NC1=CC(=C(C=C1)N2CCN(CC2)CC3=CC=CC=C3)C(=O)NCCN4CCOCC4

InChI

InChI=1S/C32H49N5O4S/c1-2-3-4-5-6-10-25-42(39,40)34-29-13-14-31(30(26-29)32(38)33-15-16-35-21-23-41-24-22-35)37-19-17-36(18-20-37)27-28-11-8-7-9-12-28/h7-9,11-14,26,34H,2-6,10,15-25,27H2,1H3,(H,33,38)