2-(4-oxidanylidene-2,3-dihydro-1,5-benzoxazepin-5-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)ethanamide

Systemtic Name: 2-(4-oxidanylidene-2,3-dihydro-1,5-benzoxazepin-5-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)ethanamide Openeye Name: 2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide CAS Name: 2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)-N-[4-(1-pyrrolidinylsulfonyl)phenyl]acetamide IUPAC Name: 2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide Traditional Name: 2-(4-keto-2,3-dihydro-1,5-benzoxazepin-5-yl)-N-(4-pyrrolidinosulfonylphenyl)acetamide Formula: C21H23N3O5S MolecularWeight: 429.48942

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CN3C(=O)CCOC4=CC=CC=C43

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CN3C(=O)CCOC4=CC=CC=C43

InChI

InChI=1S/C21H23N3O5S/c25-20(15-24-18-5-1-2-6-19(18)29-14-11-21(24)26)22-16-7-9-17(10-8-16)30(27,28)23-12-3-4-13-23/h1-2,5-10H,3-4,11-15H2,(H,22,25)