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

Systemtic Name: N-[3,3-dimethyl-5-(3-methylbutyl)-4-oxidanylidene-2H-1,5-benzoxazepin-8-yl]-2-methyl-quinoline-8-sulfonamide Openeye Name: N-(5-isopentyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-8-yl)-2-methyl-quinoline-8-sulfonamide CAS Name: N-[3,3-dimethyl-5-(3-methylbutyl)-4-oxo-2H-1,5-benzoxazepin-8-yl]-2-methyl-8-quinolinesulfonamide IUPAC Name: N-[3,3-dimethyl-5-(3-methylbutyl)-4-oxo-2H-1,5-benzoxazepin-8-yl]-2-methylquinoline-8-sulfonamide Traditional Name: N-(5-isoamyl-4-keto-3,3-dimethyl-2H-1,5-benzoxazepin-8-yl)-2-methyl-quinoline-8-sulfonamide Formula: C26H31N3O4S MolecularWeight: 481.60704

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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)CCC(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)CCC(C)C)C=C1

InChI

InChI=1S/C26H31N3O4S/c1-17(2)13-14-29-21-12-11-20(15-22(21)33-16-26(4,5)25(29)30)28-34(31,32)23-8-6-7-19-10-9-18(3)27-24(19)23/h6-12,15,17,28H,13-14,16H2,1-5H3