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

Systemtic Name: 4-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]-N-(5-oxidanyl-2-adamantyl)-2,3-dihydroquinoxaline-1-carboxamide Openeye Name: N-(5-hydroxy-2-adamantyl)-4-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]-2,3-dihydroquinoxaline-1-carboxamide CAS Name: N-(5-hydroxy-2-adamantyl)-4-[4-(4-methylsulfonyl-1-piperazinyl)phenyl]-2,3-dihydroquinoxaline-1-carboxamide IUPAC Name: N-(5-hydroxy-2-adamantyl)-4-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]-2,3-dihydroquinoxaline-1-carboxamide Traditional Name: N-(5-hydroxy-2-adamantyl)-4-[4-(4-mesylpiperazino)phenyl]-2,3-dihydroquinoxaline-1-carboxamide Formula: C30H39N5O4S MolecularWeight: 565.72676

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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)O

Isomeric SMILES

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

InChI

InChI=1S/C30H39N5O4S/c1-40(38,39)33-12-10-32(11-13-33)24-6-8-25(9-7-24)34-14-15-35(27-5-3-2-4-26(27)34)29(36)31-28-22-16-21-17-23(28)20-30(37,18-21)19-22/h2-9,21-23,28,37H,10-20H2,1H3,(H,31,36)