N-[1-(1,3-oxazol-2-yl)-1-oxidanylidene-4-phenyl-butan-2-yl]-2-[(phenylmethyl)sulfonylmethyl]-N'-propan-2-yl-butanediamide

Systemtic Name: N-[1-(1,3-oxazol-2-yl)-1-oxidanylidene-4-phenyl-butan-2-yl]-2-[(phenylmethyl)sulfonylmethyl]-N'-propan-2-yl-butanediamide Openeye Name: 2-(benzylsulfonylmethyl)-N'-isopropyl-N-[1-(oxazole-2-carbonyl)-3-phenyl-propyl]butanediamide CAS Name: N-[1-(2-oxazolyl)-1-oxo-4-phenylbutan-2-yl]-2-[(phenylmethyl)sulfonylmethyl]-N'-propan-2-ylbutanediamide IUPAC Name: 2-(benzylsulfonylmethyl)-N-[1-(1,3-oxazol-2-yl)-1-oxo-4-phenylbutan-2-yl]-N'-propan-2-ylbutanediamide Traditional Name: 2-(benzylsulfonylmethyl)-N'-isopropyl-N-[1-(oxazole-2-carbonyl)-3-phenyl-propyl]succinamide Formula: C28H33N3O6S MolecularWeight: 539.64312

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)CC(CS(=O)(=O)CC1=CC=CC=C1)C(=O)NC(CCC2=CC=CC=C2)C(=O)C3=NC=CO3

Isomeric SMILES

CC(C)NC(=O)CC(CS(=O)(=O)CC1=CC=CC=C1)C(=O)NC(CCC2=CC=CC=C2)C(=O)C3=NC=CO3

InChI

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