N-[1-(1,3-benzoxazol-2-yl)-1-oxidanylidene-butan-2-yl]-4-oxidanylidene-2-[(phenylmethyl)sulfonylmethyl]-4-piperidin-1-yl-butanamide

Systemtic Name: N-[1-(1,3-benzoxazol-2-yl)-1-oxidanylidene-butan-2-yl]-4-oxidanylidene-2-[(phenylmethyl)sulfonylmethyl]-4-piperidin-1-yl-butanamide Openeye Name: N-[1-(1,3-benzoxazole-2-carbonyl)propyl]-2-(benzylsulfonylmethyl)-4-oxo-4-(1-piperidyl)butanamide CAS Name: N-[1-(1,3-benzoxazol-2-yl)-1-oxobutan-2-yl]-4-oxo-2-[(phenylmethyl)sulfonylmethyl]-4-(1-piperidinyl)butanamide IUPAC Name: N-[1-(1,3-benzoxazol-2-yl)-1-oxobutan-2-yl]-2-(benzylsulfonylmethyl)-4-oxo-4-piperidin-1-ylbutanamide Traditional Name: N-[1-(1,3-benzoxazole-2-carbonyl)propyl]-2-(benzylsulfonylmethyl)-4-keto-4-piperidino-butyramide Formula: C28H33N3O6S MolecularWeight: 539.64312

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)C1=NC2=CC=CC=C2O1)NC(=O)C(CC(=O)N3CCCCC3)CS(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

CCC(C(=O)C1=NC2=CC=CC=C2O1)NC(=O)C(CC(=O)N3CCCCC3)CS(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C28H33N3O6S/c1-2-22(26(33)28-30-23-13-7-8-14-24(23)37-28)29-27(34)21(17-25(32)31-15-9-4-10-16-31)19-38(35,36)18-20-11-5-3-6-12-20/h3,5-8,11-14,21-22H,2,4,9-10,15-19H2,1H3,(H,29,34)