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

Systemtic Name: N-(3,3-dimethyl-5-oxidanylidene-2,4-dihydro-1,4-benzoxazepin-7-yl)naphthalene-2-sulfonamide Openeye Name: N-(3,3-dimethyl-5-oxo-2,4-dihydro-1,4-benzoxazepin-7-yl)naphthalene-2-sulfonamide CAS Name: N-(3,3-dimethyl-5-oxo-2,4-dihydro-1,4-benzoxazepin-7-yl)-2-naphthalenesulfonamide IUPAC Name: N-(3,3-dimethyl-5-oxo-2,4-dihydro-1,4-benzoxazepin-7-yl)naphthalene-2-sulfonamide Traditional Name: N-(5-keto-3,3-dimethyl-2,4-dihydro-1,4-benzoxazepin-7-yl)naphthalene-2-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=CC4=CC=CC=C4C=C3)C(=O)N1)C

Isomeric SMILES

CC1(COC2=C(C=C(C=C2)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3)C(=O)N1)C

InChI

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