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

Systemtic Name: N-[1-(1,3-benzoxazol-2-yl)-1-oxidanylidene-butan-2-yl]-4-oxidanylidene-2-[(phenylmethyl)sulfonylmethyl]-4-pyrrolidin-1-yl-butanamide Openeye Name: N-[1-(1,3-benzoxazole-2-carbonyl)propyl]-2-(benzylsulfonylmethyl)-4-oxo-4-pyrrolidin-1-yl-butanamide CAS Name: N-[1-(1,3-benzoxazol-2-yl)-1-oxobutan-2-yl]-4-oxo-2-[(phenylmethyl)sulfonylmethyl]-4-(1-pyrrolidinyl)butanamide IUPAC Name: N-[1-(1,3-benzoxazol-2-yl)-1-oxobutan-2-yl]-2-(benzylsulfonylmethyl)-4-oxo-4-pyrrolidin-1-ylbutanamide Traditional Name: N-[1-(1,3-benzoxazole-2-carbonyl)propyl]-2-(benzylsulfonylmethyl)-4-keto-4-pyrrolidino-butyramide Formula: C27H31N3O6S MolecularWeight: 525.61654

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)C1=NC2=CC=CC=C2O1)NC(=O)C(CC(=O)N3CCCC3)CS(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

CCC(C(=O)C1=NC2=CC=CC=C2O1)NC(=O)C(CC(=O)N3CCCC3)CS(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C27H31N3O6S/c1-2-21(25(32)27-29-22-12-6-7-13-23(22)36-27)28-26(33)20(16-24(31)30-14-8-9-15-30)18-37(34,35)17-19-10-4-3-5-11-19/h3-7,10-13,20-21H,2,8-9,14-18H2,1H3,(H,28,33)