2-[[4-(1-adamantyl)phenyl]-methylsulfonyl-amino]-N-[3-(4-methylpiperazin-1-yl)propyl]ethanamide

Systemtic Name: 2-[[4-(1-adamantyl)phenyl]-methylsulfonyl-amino]-N-[3-(4-methylpiperazin-1-yl)propyl]ethanamide Openeye Name: 2-[4-(1-adamantyl)-N-methylsulfonyl-anilino]-N-[3-(4-methylpiperazin-1-yl)propyl]acetamide CAS Name: 2-[4-(1-adamantyl)-N-methylsulfonylanilino]-N-[3-(4-methyl-1-piperazinyl)propyl]acetamide IUPAC Name: 2-[4-(1-adamantyl)-N-methylsulfonylanilino]-N-[3-(4-methylpiperazin-1-yl)propyl]acetamide Traditional Name: 2-[4-(1-adamantyl)-N-mesyl-anilino]-N-[3-(4-methylpiperazino)propyl]acetamide Formula: C27H42N4O3S MolecularWeight: 502.71238

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CCCNC(=O)CN(C2=CC=C(C=C2)C34CC5CC(C3)CC(C5)C4)S(=O)(=O)C

Isomeric SMILES

CN1CCN(CC1)CCCNC(=O)CN(C2=CC=C(C=C2)C34CC5CC(C3)CC(C5)C4)S(=O)(=O)C

InChI

InChI=1S/C27H42N4O3S/c1-29-10-12-30(13-11-29)9-3-8-28-26(32)20-31(35(2,33)34)25-6-4-24(5-7-25)27-17-21-14-22(18-27)16-23(15-21)19-27/h4-7,21-23H,3,8-20H2,1-2H3,(H,28,32)