(5-methylsulfonyl-2-propan-2-yloxy-phenyl)-(4-quinoxalin-2-ylpiperazin-1-yl)methanone

Systemtic Name: (5-methylsulfonyl-2-propan-2-yloxy-phenyl)-(4-quinoxalin-2-ylpiperazin-1-yl)methanone Openeye Name: (2-isopropoxy-5-methylsulfonyl-phenyl)-(4-quinoxalin-2-ylpiperazin-1-yl)methanone CAS Name: (5-methylsulfonyl-2-propan-2-yloxyphenyl)-[4-(2-quinoxalinyl)-1-piperazinyl]methanone IUPAC Name: (5-methylsulfonyl-2-propan-2-yloxyphenyl)-(4-quinoxalin-2-ylpiperazin-1-yl)methanone Traditional Name: (2-isopropoxy-5-mesyl-phenyl)-(4-quinoxalin-2-ylpiperazino)methanone Formula: C23H26N4O4S MolecularWeight: 454.54194

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)N2CCN(CC2)C3=NC4=CC=CC=C4N=C3

Isomeric SMILES

CC(C)OC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)N2CCN(CC2)C3=NC4=CC=CC=C4N=C3

InChI

InChI=1S/C23H26N4O4S/c1-16(2)31-21-9-8-17(32(3,29)30)14-18(21)23(28)27-12-10-26(11-13-27)22-15-24-19-6-4-5-7-20(19)25-22/h4-9,14-16H,10-13H2,1-3H3