N-(3-chloranyl-6-oxidanylidene-5H-benzo[b][1,4]benzoxazepin-8-yl)-4-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: N-(3-chloranyl-6-oxidanylidene-5H-benzo[b][1,4]benzoxazepin-8-yl)-4-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-(3-chloro-6-oxo-5H-benzo[b][1,4]benzoxazepin-8-yl)-4-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-(3-chloro-6-oxo-5H-benzo[b][1,4]benzoxazepin-8-yl)-4-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-(3-chloro-6-oxo-5H-benzo[b][1,4]benzoxazepin-8-yl)-4-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-(3-chloro-6-keto-5H-benzo[b][1,4]benzoxazepin-8-yl)-4-pyrrolidinosulfonyl-benzamide Formula: C24H20ClN3O5S MolecularWeight: 497.9507

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=CC4=C(C=C3)OC5=C(C=C(C=C5)Cl)NC4=O

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=CC4=C(C=C3)OC5=C(C=C(C=C5)Cl)NC4=O

InChI

InChI=1S/C24H20ClN3O5S/c25-16-5-9-22-20(13-16)27-24(30)19-14-17(6-10-21(19)33-22)26-23(29)15-3-7-18(8-4-15)34(31,32)28-11-1-2-12-28/h3-10,13-14H,1-2,11-12H2,(H,26,29)(H,27,30)