N-[(1S,3R)-5-oxidanyl-2-adamantyl]-4-[5-(4-propan-2-ylsulfonylpiperazin-1-yl)pyridin-2-yl]-2,3-dihydroquinoxaline-1-carboxamide

Systemtic Name: N-[(1S,3R)-5-oxidanyl-2-adamantyl]-4-[5-(4-propan-2-ylsulfonylpiperazin-1-yl)pyridin-2-yl]-2,3-dihydroquinoxaline-1-carboxamide Openeye Name: N-[(1S,3R)-5-hydroxy-2-adamantyl]-4-[5-(4-isopropylsulfonylpiperazin-1-yl)-2-pyridyl]-2,3-dihydroquinoxaline-1-carboxamide CAS Name: N-[(1S,3R)-5-hydroxy-2-adamantyl]-4-[5-(4-propan-2-ylsulfonyl-1-piperazinyl)-2-pyridinyl]-2,3-dihydroquinoxaline-1-carboxamide IUPAC Name: N-[(1S,3R)-5-hydroxy-2-adamantyl]-4-[5-(4-propan-2-ylsulfonylpiperazin-1-yl)pyridin-2-yl]-2,3-dihydroquinoxaline-1-carboxamide Traditional Name: N-[(1S,3R)-5-hydroxy-2-adamantyl]-4-[5-(4-isopropylsulfonylpiperazino)-2-pyridyl]-2,3-dihydroquinoxaline-1-carboxamide Formula: C31H42N6O4S MolecularWeight: 594.76798

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)S(=O)(=O)N1CCN(CC1)C2=CN=C(C=C2)N3CCN(C4=CC=CC=C43)C(=O)NC5[C@@H]6CC7C[C@H]5CC(C6)(C7)O

InChI

InChI=1S/C31H42N6O4S/c1-21(2)42(40,41)35-11-9-34(10-12-35)25-7-8-28(32-20-25)36-13-14-37(27-6-4-3-5-26(27)36)30(38)33-29-23-15-22-16-24(29)19-31(39,17-22)18-23/h3-8,20-24,29,39H,9-19H2,1-2H3,(H,33,38)/t22?,23-,24+,29?,31?