N-(3,3-dimethyl-5-oxidanylidene-2,4-dihydro-1,4-benzoxazepin-7-yl)naphthalene-1-sulfonamide

Systemtic Name: N-(3,3-dimethyl-5-oxidanylidene-2,4-dihydro-1,4-benzoxazepin-7-yl)naphthalene-1-sulfonamide Openeye Name: N-(3,3-dimethyl-5-oxo-2,4-dihydro-1,4-benzoxazepin-7-yl)naphthalene-1-sulfonamide CAS Name: N-(3,3-dimethyl-5-oxo-2,4-dihydro-1,4-benzoxazepin-7-yl)-1-naphthalenesulfonamide IUPAC Name: N-(3,3-dimethyl-5-oxo-2,4-dihydro-1,4-benzoxazepin-7-yl)naphthalene-1-sulfonamide Traditional Name: N-(5-keto-3,3-dimethyl-2,4-dihydro-1,4-benzoxazepin-7-yl)naphthalene-1-sulfonamide Formula: C21H20N2O4S MolecularWeight: 396.4595

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Descriptors Computed from Structure

Canonical SMILES:

CC1(COC2=C(C=C(C=C2)NS(=O)(=O)C3=CC=CC4=CC=CC=C43)C(=O)N1)C

Isomeric SMILES

CC1(COC2=C(C=C(C=C2)NS(=O)(=O)C3=CC=CC4=CC=CC=C43)C(=O)N1)C

InChI

InChI=1S/C21H20N2O4S/c1-21(2)13-27-18-11-10-15(12-17(18)20(24)22-21)23-28(25,26)19-9-5-7-14-6-3-4-8-16(14)19/h3-12,23H,13H2,1-2H3,(H,22,24)