N-[1-(1,3-benzoxazol-2-yl)-1-oxidanylidene-butan-2-yl]-3-(phenylmethyl)sulfonyl-2-(pyrimidin-2-ylamino)propanamide

Systemtic Name: N-[1-(1,3-benzoxazol-2-yl)-1-oxidanylidene-butan-2-yl]-3-(phenylmethyl)sulfonyl-2-(pyrimidin-2-ylamino)propanamide Openeye Name: N-[1-(1,3-benzoxazole-2-carbonyl)propyl]-3-benzylsulfonyl-2-(pyrimidin-2-ylamino)propanamide CAS Name: N-[1-(1,3-benzoxazol-2-yl)-1-oxobutan-2-yl]-3-(phenylmethyl)sulfonyl-2-(2-pyrimidinylamino)propanamide IUPAC Name: N-[1-(1,3-benzoxazol-2-yl)-1-oxobutan-2-yl]-3-benzylsulfonyl-2-(pyrimidin-2-ylamino)propanamide Traditional Name: N-[1-(1,3-benzoxazole-2-carbonyl)propyl]-3-benzylsulfonyl-2-(2-pyrimidylamino)propionamide Formula: C25H25N5O5S MolecularWeight: 507.5615

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)C1=NC2=CC=CC=C2O1)NC(=O)C(CS(=O)(=O)CC3=CC=CC=C3)NC4=NC=CC=N4

Isomeric SMILES

CCC(C(=O)C1=NC2=CC=CC=C2O1)NC(=O)C(CS(=O)(=O)CC3=CC=CC=C3)NC4=NC=CC=N4

InChI

InChI=1S/C25H25N5O5S/c1-2-18(22(31)24-29-19-11-6-7-12-21(19)35-24)28-23(32)20(30-25-26-13-8-14-27-25)16-36(33,34)15-17-9-4-3-5-10-17/h3-14,18,20H,2,15-16H2,1H3,(H,28,32)(H,26,27,30)