4-morpholin-4-yl-4-oxidanylidene-N-[3-oxidanylidene-1-(phenylsulfonyl)azepan-4-yl]-2-[(phenylmethyl)sulfonylmethyl]butanamide

Systemtic Name: 4-morpholin-4-yl-4-oxidanylidene-N-[3-oxidanylidene-1-(phenylsulfonyl)azepan-4-yl]-2-[(phenylmethyl)sulfonylmethyl]butanamide Openeye Name: N-[1-(benzenesulfonyl)-3-oxo-azepan-4-yl]-2-(benzylsulfonylmethyl)-4-morpholino-4-oxo-butanamide CAS Name: N-[1-(benzenesulfonyl)-3-oxo-4-azepanyl]-4-(4-morpholinyl)-4-oxo-2-[(phenylmethyl)sulfonylmethyl]butanamide IUPAC Name: N-[1-(benzenesulfonyl)-3-oxoazepan-4-yl]-2-(benzylsulfonylmethyl)-4-morpholin-4-yl-4-oxobutanamide Traditional Name: 2-(benzylsulfonylmethyl)-N-(1-besyl-3-keto-azepan-4-yl)-4-keto-4-morpholino-butyramide Formula: C28H35N3O8S2 MolecularWeight: 605.7228

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(=O)CN(C1)S(=O)(=O)C2=CC=CC=C2)NC(=O)C(CC(=O)N3CCOCC3)CS(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

C1CC(C(=O)CN(C1)S(=O)(=O)C2=CC=CC=C2)NC(=O)C(CC(=O)N3CCOCC3)CS(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C28H35N3O8S2/c32-26-19-31(41(37,38)24-10-5-2-6-11-24)13-7-12-25(26)29-28(34)23(18-27(33)30-14-16-39-17-15-30)21-40(35,36)20-22-8-3-1-4-9-22/h1-6,8-11,23,25H,7,12-21H2,(H,29,34)