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

Systemtic Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxidanylidene-N-(3-pyrrolidin-1-ylsulfonylphenyl)butanamide Openeye Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxo-N-(3-pyrrolidin-1-ylsulfonylphenyl)butanamide CAS Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxo-N-[3-(1-pyrrolidinylsulfonyl)phenyl]butanamide IUPAC Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxo-N-(3-pyrrolidin-1-ylsulfonylphenyl)butanamide Traditional Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-keto-N-(3-pyrrolidinosulfonylphenyl)butyramide Formula: C23H26N2O6S MolecularWeight: 458.52734

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26N2O6S/c26-20(17-7-9-21-22(15-17)31-14-4-13-30-21)8-10-23(27)24-18-5-3-6-19(16-18)32(28,29)25-11-1-2-12-25/h3,5-7,9,15-16H,1-2,4,8,10-14H2,(H,24,27)