2-cyano-N-[4-(cyclopropylmethyl)-2-ethyl-3-oxidanylidene-5H-1,4-benzoxazepin-7-yl]benzenesulfonamide

Systemtic Name: 2-cyano-N-[4-(cyclopropylmethyl)-2-ethyl-3-oxidanylidene-5H-1,4-benzoxazepin-7-yl]benzenesulfonamide Openeye Name: 2-cyano-N-[4-(cyclopropylmethyl)-2-ethyl-3-oxo-5H-1,4-benzoxazepin-7-yl]benzenesulfonamide CAS Name: 2-cyano-N-[4-(cyclopropylmethyl)-2-ethyl-3-oxo-5H-1,4-benzoxazepin-7-yl]benzenesulfonamide IUPAC Name: 2-cyano-N-[4-(cyclopropylmethyl)-2-ethyl-3-oxo-5H-1,4-benzoxazepin-7-yl]benzenesulfonamide Traditional Name: 2-cyano-N-[4-(cyclopropylmethyl)-2-ethyl-3-keto-5H-1,4-benzoxazepin-7-yl]benzenesulfonamide Formula: C22H23N3O4S MolecularWeight: 425.50072

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=O)N(CC2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CC=CC=C3C#N)CC4CC4

Isomeric SMILES

CCC1C(=O)N(CC2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CC=CC=C3C#N)CC4CC4

InChI

InChI=1S/C22H23N3O4S/c1-2-19-22(26)25(13-15-7-8-15)14-17-11-18(9-10-20(17)29-19)24-30(27,28)21-6-4-3-5-16(21)12-23/h3-6,9-11,15,19,24H,2,7-8,13-14H2,1H3