N-(3,3-dimethyl-4-oxidanylidene-5-prop-2-enyl-2H-1,5-benzoxazepin-7-yl)-2-methyl-quinoline-8-sulfonamide

Systemtic Name: N-(3,3-dimethyl-4-oxidanylidene-5-prop-2-enyl-2H-1,5-benzoxazepin-7-yl)-2-methyl-quinoline-8-sulfonamide Openeye Name: N-(5-allyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-7-yl)-2-methyl-quinoline-8-sulfonamide CAS Name: N-(3,3-dimethyl-4-oxo-5-prop-2-enyl-2H-1,5-benzoxazepin-7-yl)-2-methyl-8-quinolinesulfonamide IUPAC Name: N-(3,3-dimethyl-4-oxo-5-prop-2-enyl-2H-1,5-benzoxazepin-7-yl)-2-methylquinoline-8-sulfonamide Traditional Name: N-(5-allyl-4-keto-3,3-dimethyl-2H-1,5-benzoxazepin-7-yl)-2-methyl-quinoline-8-sulfonamide Formula: C24H25N3O4S MolecularWeight: 451.538

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=CC=C2S(=O)(=O)NC3=CC4=C(C=C3)OCC(C(=O)N4CC=C)(C)C)C=C1

Isomeric SMILES

CC1=NC2=C(C=CC=C2S(=O)(=O)NC3=CC4=C(C=C3)OCC(C(=O)N4CC=C)(C)C)C=C1

InChI

InChI=1S/C24H25N3O4S/c1-5-13-27-19-14-18(11-12-20(19)31-15-24(3,4)23(27)28)26-32(29,30)21-8-6-7-17-10-9-16(2)25-22(17)21/h5-12,14,26H,1,13,15H2,2-4H3