4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-[[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]methyl]butanamide

Systemtic Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-[[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]methyl]butanamide Openeye Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]butanamide CAS Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-[[4-(2-oxo-1-pyrrolidinyl)phenyl]methyl]butanamide IUPAC Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]butanamide Traditional Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-[4-(2-ketopyrrolidino)benzyl]butyramide Formula: C24H29N3O6S MolecularWeight: 487.56856

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)C2=CC=C(C=C2)CNC(=O)CCCNS(=O)(=O)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

C1CC(=O)N(C1)C2=CC=C(C=C2)CNC(=O)CCCNS(=O)(=O)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C24H29N3O6S/c28-23(25-17-18-6-8-19(9-7-18)27-13-2-5-24(27)29)4-1-12-26-34(30,31)20-10-11-21-22(16-20)33-15-3-14-32-21/h6-11,16,26H,1-5,12-15,17H2,(H,25,28)