[4-[[(5S,7R)-3-phenyl-1-adamantyl]carbonylamino]phenyl]sulfonyl-pyrimidin-2-yl-azanide

Systemtic Name: [4-[[(5S,7R)-3-phenyl-1-adamantyl]carbonylamino]phenyl]sulfonyl-pyrimidin-2-yl-azanide Openeye Name: [4-[[(5S,7R)-3-phenyladamantane-1-carbonyl]amino]phenyl]sulfonyl-pyrimidin-2-yl-azanide CAS Name: [4-[[oxo-[(5S,7R)-3-phenyl-1-adamantyl]methyl]amino]phenyl]sulfonyl-(2-pyrimidinyl)azanide IUPAC Name: [4-[[(5S,7R)-3-phenyladamantane-1-carbonyl]amino]phenyl]sulfonyl-pyrimidin-2-ylazanide Traditional Name: [4-[[(5S,7R)-3-phenyladamantane-1-carbonyl]amino]phenyl]sulfonyl-(2-pyrimidyl)azanide Formula: C27H27N4O3S- MolecularWeight: 487.59328

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)C(=O)NC4=CC=C(C=C4)S(=O)(=O)[N-]C5=NC=CC=N5)C6=CC=CC=C6

Isomeric SMILES

C1[C@@H]2CC3(C[C@H]1CC(C2)(C3)C(=O)NC4=CC=C(C=C4)S(=O)(=O)[N-]C5=NC=CC=N5)C6=CC=CC=C6

InChI

InChI=1S/C27H28N4O3S/c32-24(30-22-7-9-23(10-8-22)35(33,34)31-25-28-11-4-12-29-25)27-16-19-13-20(17-27)15-26(14-19,18-27)21-5-2-1-3-6-21/h1-12,19-20H,13-18H2,(H2,28,29,30,31,32)/p-1/t19-,20+,26?,27?