N-(5-ethyl-6-oxidanylidene-benzo[b][1,4]benzoxazepin-8-yl)-4-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: N-(5-ethyl-6-oxidanylidene-benzo[b][1,4]benzoxazepin-8-yl)-4-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-(5-ethyl-6-oxo-benzo[b][1,4]benzoxazepin-8-yl)-4-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-(5-ethyl-6-oxo-8-benzo[b][1,4]benzoxazepinyl)-4-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-(5-ethyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)-4-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-(5-ethyl-6-keto-benzo[b][1,4]benzoxazepin-8-yl)-4-pyrrolidinosulfonyl-benzamide Formula: C26H25N3O5S MolecularWeight: 491.5588

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2OC3=C(C1=O)C=C(C=C3)NC(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCCC5

Isomeric SMILES

CCN1C2=CC=CC=C2OC3=C(C1=O)C=C(C=C3)NC(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCCC5

InChI

InChI=1S/C26H25N3O5S/c1-2-29-22-7-3-4-8-24(22)34-23-14-11-19(17-21(23)26(29)31)27-25(30)18-9-12-20(13-10-18)35(32,33)28-15-5-6-16-28/h3-4,7-14,17H,2,5-6,15-16H2,1H3,(H,27,30)