N-[3,3-dimethyl-5-(2-methylpropyl)-4-oxidanylidene-2H-1,5-benzoxazepin-8-yl]-2-methyl-quinoline-8-sulfonamide

Systemtic Name: N-[3,3-dimethyl-5-(2-methylpropyl)-4-oxidanylidene-2H-1,5-benzoxazepin-8-yl]-2-methyl-quinoline-8-sulfonamide Openeye Name: N-(5-isobutyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-8-yl)-2-methyl-quinoline-8-sulfonamide CAS Name: N-[3,3-dimethyl-5-(2-methylpropyl)-4-oxo-2H-1,5-benzoxazepin-8-yl]-2-methyl-8-quinolinesulfonamide IUPAC Name: N-[3,3-dimethyl-5-(2-methylpropyl)-4-oxo-2H-1,5-benzoxazepin-8-yl]-2-methylquinoline-8-sulfonamide Traditional Name: N-(5-isobutyl-4-keto-3,3-dimethyl-2H-1,5-benzoxazepin-8-yl)-2-methyl-quinoline-8-sulfonamide Formula: C25H29N3O4S MolecularWeight: 467.58046

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=CC=C2S(=O)(=O)NC3=CC4=C(C=C3)N(C(=O)C(CO4)(C)C)CC(C)C)C=C1

Isomeric SMILES

CC1=NC2=C(C=CC=C2S(=O)(=O)NC3=CC4=C(C=C3)N(C(=O)C(CO4)(C)C)CC(C)C)C=C1

InChI

InChI=1S/C25H29N3O4S/c1-16(2)14-28-20-12-11-19(13-21(20)32-15-25(4,5)24(28)29)27-33(30,31)22-8-6-7-18-10-9-17(3)26-23(18)22/h6-13,16,27H,14-15H2,1-5H3