N-(3,3-dimethyl-4-oxidanylidene-5-prop-2-enyl-2H-1,5-benzoxazepin-8-yl)-4-propoxy-benzenesulfonamide

Systemtic Name: N-(3,3-dimethyl-4-oxidanylidene-5-prop-2-enyl-2H-1,5-benzoxazepin-8-yl)-4-propoxy-benzenesulfonamide Openeye Name: N-(5-allyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-8-yl)-4-propoxy-benzenesulfonamide CAS Name: N-(3,3-dimethyl-4-oxo-5-prop-2-enyl-2H-1,5-benzoxazepin-8-yl)-4-propoxybenzenesulfonamide IUPAC Name: N-(3,3-dimethyl-4-oxo-5-prop-2-enyl-2H-1,5-benzoxazepin-8-yl)-4-propoxybenzenesulfonamide Traditional Name: N-(5-allyl-4-keto-3,3-dimethyl-2H-1,5-benzoxazepin-8-yl)-4-propoxy-benzenesulfonamide Formula: C23H28N2O5S MolecularWeight: 444.54382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N2O5S/c1-5-13-25-20-12-7-17(15-21(20)30-16-23(3,4)22(25)26)24-31(27,28)19-10-8-18(9-11-19)29-14-6-2/h5,7-12,15,24H,1,6,13-14,16H2,2-4H3