N-(5-aminocarbonyl-2-adamantyl)-4-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]-2,3-dihydroquinoxaline-1-carboxamide

Systemtic Name: N-(5-aminocarbonyl-2-adamantyl)-4-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]-2,3-dihydroquinoxaline-1-carboxamide Openeye Name: N-(5-carbamoyl-2-adamantyl)-4-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]-2,3-dihydroquinoxaline-1-carboxamide CAS Name: N-(5-carbamoyl-2-adamantyl)-4-[4-(4-methylsulfonyl-1-piperazinyl)phenyl]-2,3-dihydroquinoxaline-1-carboxamide IUPAC Name: N-(5-carbamoyl-2-adamantyl)-4-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]-2,3-dihydroquinoxaline-1-carboxamide Traditional Name: N-(5-carbamoyl-2-adamantyl)-4-[4-(4-mesylpiperazino)phenyl]-2,3-dihydroquinoxaline-1-carboxamide Formula: C31H40N6O4S MolecularWeight: 592.7521

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(CC1)C2=CC=C(C=C2)N3CCN(C4=CC=CC=C43)C(=O)NC5C6CC7CC5CC(C7)(C6)C(=O)N

Isomeric SMILES

CS(=O)(=O)N1CCN(CC1)C2=CC=C(C=C2)N3CCN(C4=CC=CC=C43)C(=O)NC5C6CC7CC5CC(C7)(C6)C(=O)N

InChI

InChI=1S/C31H40N6O4S/c1-42(40,41)35-12-10-34(11-13-35)24-6-8-25(9-7-24)36-14-15-37(27-5-3-2-4-26(27)36)30(39)33-28-22-16-21-17-23(28)20-31(18-21,19-22)29(32)38/h2-9,21-23,28H,10-20H2,1H3,(H2,32,38)(H,33,39)