4-chloranyl-N-[2-methyl-4-(3-methylbutyl)-3-oxidanylidene-5H-1,4-benzoxazepin-7-yl]benzenesulfonamide

Systemtic Name: 4-chloranyl-N-[2-methyl-4-(3-methylbutyl)-3-oxidanylidene-5H-1,4-benzoxazepin-7-yl]benzenesulfonamide Openeye Name: 4-chloro-N-(4-isopentyl-2-methyl-3-oxo-5H-1,4-benzoxazepin-7-yl)benzenesulfonamide CAS Name: 4-chloro-N-[2-methyl-4-(3-methylbutyl)-3-oxo-5H-1,4-benzoxazepin-7-yl]benzenesulfonamide IUPAC Name: 4-chloro-N-[2-methyl-4-(3-methylbutyl)-3-oxo-5H-1,4-benzoxazepin-7-yl]benzenesulfonamide Traditional Name: 4-chloro-N-(4-isoamyl-3-keto-2-methyl-5H-1,4-benzoxazepin-7-yl)benzenesulfonamide Formula: C21H25ClN2O4S MolecularWeight: 436.9522

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)N(CC2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)Cl)CCC(C)C

Isomeric SMILES

CC1C(=O)N(CC2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)Cl)CCC(C)C

InChI

InChI=1S/C21H25ClN2O4S/c1-14(2)10-11-24-13-16-12-18(6-9-20(16)28-15(3)21(24)25)23-29(26,27)19-7-4-17(22)5-8-19/h4-9,12,14-15,23H,10-11,13H2,1-3H3