N-(3,3-dimethyl-4-oxidanylidene-2,5-dihydro-1,5-benzoxazepin-8-yl)-3-methyl-4-propoxy-benzenesulfonamide

Systemtic Name: N-(3,3-dimethyl-4-oxidanylidene-2,5-dihydro-1,5-benzoxazepin-8-yl)-3-methyl-4-propoxy-benzenesulfonamide Openeye Name: N-(3,3-dimethyl-4-oxo-2,5-dihydro-1,5-benzoxazepin-8-yl)-3-methyl-4-propoxy-benzenesulfonamide CAS Name: N-(3,3-dimethyl-4-oxo-2,5-dihydro-1,5-benzoxazepin-8-yl)-3-methyl-4-propoxybenzenesulfonamide IUPAC Name: N-(3,3-dimethyl-4-oxo-2,5-dihydro-1,5-benzoxazepin-8-yl)-3-methyl-4-propoxybenzenesulfonamide Traditional Name: N-(4-keto-3,3-dimethyl-2,5-dihydro-1,5-benzoxazepin-8-yl)-3-methyl-4-propoxy-benzenesulfonamide Formula: C21H26N2O5S MolecularWeight: 418.50654

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)NC(=O)C(CO3)(C)C)C

Isomeric SMILES

CCCOC1=C(C=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)NC(=O)C(CO3)(C)C)C

InChI

InChI=1S/C21H26N2O5S/c1-5-10-27-18-9-7-16(11-14(18)2)29(25,26)23-15-6-8-17-19(12-15)28-13-21(3,4)20(24)22-17/h6-9,11-12,23H,5,10,13H2,1-4H3,(H,22,24)