[4-[4-(1-adamantylcarbonylamino)butanoylamino]phenyl]sulfonyl-pyrimidin-2-yl-azanide

Systemtic Name: [4-[4-(1-adamantylcarbonylamino)butanoylamino]phenyl]sulfonyl-pyrimidin-2-yl-azanide Openeye Name: [4-[4-(adamantane-1-carbonylamino)butanoylamino]phenyl]sulfonyl-pyrimidin-2-yl-azanide CAS Name: [4-[[4-[[1-adamantyl(oxo)methyl]amino]-1-oxobutyl]amino]phenyl]sulfonyl-(2-pyrimidinyl)azanide IUPAC Name: [4-[4-(adamantane-1-carbonylamino)butanoylamino]phenyl]sulfonyl-pyrimidin-2-ylazanide Traditional Name: [4-[4-(adamantane-1-carbonylamino)butanoylamino]phenyl]sulfonyl-(2-pyrimidyl)azanide Formula: C25H30N5O4S- MolecularWeight: 496.6018

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)NCCCC(=O)NC4=CC=C(C=C4)S(=O)(=O)[N-]C5=NC=CC=N5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)NCCCC(=O)NC4=CC=C(C=C4)S(=O)(=O)[N-]C5=NC=CC=N5

InChI

InChI=1S/C25H31N5O4S/c31-22(3-1-8-26-23(32)25-14-17-11-18(15-25)13-19(12-17)16-25)29-20-4-6-21(7-5-20)35(33,34)30-24-27-9-2-10-28-24/h2,4-7,9-10,17-19H,1,3,8,11-16H2,(H3,26,27,28,29,30,31,32)/p-1