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

Systemtic Name: N-(3-methyl-6-oxidanylidene-5H-benzo[b][1,4]benzoxazepin-8-yl)-4-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-(3-methyl-6-oxo-5H-benzo[b][1,4]benzoxazepin-8-yl)-4-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-(3-methyl-6-oxo-5H-benzo[b][1,4]benzoxazepin-8-yl)-4-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-(3-methyl-6-oxo-5H-benzo[b][1,4]benzoxazepin-8-yl)-4-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-(6-keto-3-methyl-5H-benzo[b][1,4]benzoxazepin-8-yl)-4-pyrrolidinosulfonyl-benzamide Formula: C25H23N3O5S MolecularWeight: 477.53222

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC3=C(C=C(C=C3)NC(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCCC5)C(=O)N2

Isomeric SMILES

CC1=CC2=C(C=C1)OC3=C(C=C(C=C3)NC(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCCC5)C(=O)N2

InChI

InChI=1S/C25H23N3O5S/c1-16-4-10-23-21(14-16)27-25(30)20-15-18(7-11-22(20)33-23)26-24(29)17-5-8-19(9-6-17)34(31,32)28-12-2-3-13-28/h4-11,14-15H,2-3,12-13H2,1H3,(H,26,29)(H,27,30)