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

Systemtic Name: N-[2-methyl-4-(3-methylbutyl)-3-oxidanylidene-5H-1,4-benzoxazepin-7-yl]benzenesulfonamide Openeye Name: N-(4-isopentyl-2-methyl-3-oxo-5H-1,4-benzoxazepin-7-yl)benzenesulfonamide CAS Name: N-[2-methyl-4-(3-methylbutyl)-3-oxo-5H-1,4-benzoxazepin-7-yl]benzenesulfonamide IUPAC Name: N-[2-methyl-4-(3-methylbutyl)-3-oxo-5H-1,4-benzoxazepin-7-yl]benzenesulfonamide Traditional Name: N-(4-isoamyl-3-keto-2-methyl-5H-1,4-benzoxazepin-7-yl)benzenesulfonamide Formula: C21H26N2O4S MolecularWeight: 402.50714

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O4S/c1-15(2)11-12-23-14-17-13-18(9-10-20(17)27-16(3)21(23)24)22-28(25,26)19-7-5-4-6-8-19/h4-10,13,15-16,22H,11-12,14H2,1-3H3