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

Systemtic Name: N-(3,5-dimethyl-6-oxidanylidene-benzo[b][1,4]benzoxazepin-8-yl)-4-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-(3,5-dimethyl-6-oxo-benzo[b][1,4]benzoxazepin-8-yl)-4-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-(3,5-dimethyl-6-oxo-8-benzo[b][1,4]benzoxazepinyl)-4-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-(3,5-dimethyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)-4-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-(6-keto-3,5-dimethyl-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:

CC1=CC2=C(C=C1)OC3=C(C=C(C=C3)NC(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCCC5)C(=O)N2C

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)N2C

InChI

InChI=1S/C26H25N3O5S/c1-17-5-11-24-22(15-17)28(2)26(31)21-16-19(8-12-23(21)34-24)27-25(30)18-6-9-20(10-7-18)35(32,33)29-13-3-4-14-29/h5-12,15-16H,3-4,13-14H2,1-2H3,(H,27,30)