4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxidanylidene-N-(2-oxidanyl-5-pyrrolidin-1-ylsulfonyl-phenyl)butanamide

Systemtic Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxidanylidene-N-(2-oxidanyl-5-pyrrolidin-1-ylsulfonyl-phenyl)butanamide Openeye Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(2-hydroxy-5-pyrrolidin-1-ylsulfonyl-phenyl)-4-oxo-butanamide CAS Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[2-hydroxy-5-(1-pyrrolidinylsulfonyl)phenyl]-4-oxobutanamide IUPAC Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-4-oxobutanamide Traditional Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(2-hydroxy-5-pyrrolidinosulfonyl-phenyl)-4-keto-butyramide Formula: C23H26N2O7S MolecularWeight: 474.52674

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)O)NC(=O)CCC(=O)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)O)NC(=O)CCC(=O)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C23H26N2O7S/c26-19(16-4-8-21-22(14-16)32-13-3-12-31-21)7-9-23(28)24-18-15-17(5-6-20(18)27)33(29,30)25-10-1-2-11-25/h4-6,8,14-15,27H,1-3,7,9-13H2,(H,24,28)