N-[3,3-dimethyl-5-(2-methylpropyl)-4-oxidanylidene-2H-1,5-benzoxazepin-8-yl]-4-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: N-[3,3-dimethyl-5-(2-methylpropyl)-4-oxidanylidene-2H-1,5-benzoxazepin-8-yl]-4-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-(5-isobutyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-8-yl)-4-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-[3,3-dimethyl-5-(2-methylpropyl)-4-oxo-2H-1,5-benzoxazepin-8-yl]-4-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-[3,3-dimethyl-5-(2-methylpropyl)-4-oxo-2H-1,5-benzoxazepin-8-yl]-4-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-(5-isobutyl-4-keto-3,3-dimethyl-2H-1,5-benzoxazepin-8-yl)-4-pyrrolidinosulfonyl-benzamide Formula: C26H33N3O5S MolecularWeight: 499.62232

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=C(C=C(C=C2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4)OCC(C1=O)(C)C

Isomeric SMILES

CC(C)CN1C2=C(C=C(C=C2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4)OCC(C1=O)(C)C

InChI

InChI=1S/C26H33N3O5S/c1-18(2)16-29-22-12-9-20(15-23(22)34-17-26(3,4)25(29)31)27-24(30)19-7-10-21(11-8-19)35(32,33)28-13-5-6-14-28/h7-12,15,18H,5-6,13-14,16-17H2,1-4H3,(H,27,30)