N-[1,2-bis(oxidanylidene)-1-phenyl-heptan-3-yl]-4-morpholin-4-yl-4-oxidanylidene-2-[(phenylmethyl)sulfonylmethyl]butanamide

Systemtic Name: N-[1,2-bis(oxidanylidene)-1-phenyl-heptan-3-yl]-4-morpholin-4-yl-4-oxidanylidene-2-[(phenylmethyl)sulfonylmethyl]butanamide Openeye Name: 2-(benzylsulfonylmethyl)-4-morpholino-4-oxo-N-[1-(2-oxo-2-phenyl-acetyl)pentyl]butanamide CAS Name: N-(1,2-dioxo-1-phenylheptan-3-yl)-4-(4-morpholinyl)-4-oxo-2-[(phenylmethyl)sulfonylmethyl]butanamide IUPAC Name: 2-(benzylsulfonylmethyl)-N-(1,2-dioxo-1-phenylheptan-3-yl)-4-morpholin-4-yl-4-oxobutanamide Traditional Name: 2-(benzylsulfonylmethyl)-4-keto-N-[1-(2-keto-2-phenyl-acetyl)pentyl]-4-morpholino-butyramide Formula: C29H36N2O7S MolecularWeight: 556.67034

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)C(=O)C1=CC=CC=C1)NC(=O)C(CC(=O)N2CCOCC2)CS(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

CCCCC(C(=O)C(=O)C1=CC=CC=C1)NC(=O)C(CC(=O)N2CCOCC2)CS(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C29H36N2O7S/c1-2-3-14-25(28(34)27(33)23-12-8-5-9-13-23)30-29(35)24(19-26(32)31-15-17-38-18-16-31)21-39(36,37)20-22-10-6-4-7-11-22/h4-13,24-25H,2-3,14-21H2,1H3,(H,30,35)