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

Systemtic Name: N-(3,3-dimethyl-4-oxidanylidene-5-prop-2-enyl-2H-1,5-benzoxazepin-8-yl)-4-propyl-benzenesulfonamide Openeye Name: N-(5-allyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-8-yl)-4-propyl-benzenesulfonamide CAS Name: N-(3,3-dimethyl-4-oxo-5-prop-2-enyl-2H-1,5-benzoxazepin-8-yl)-4-propylbenzenesulfonamide IUPAC Name: N-(3,3-dimethyl-4-oxo-5-prop-2-enyl-2H-1,5-benzoxazepin-8-yl)-4-propylbenzenesulfonamide Traditional Name: N-(5-allyl-4-keto-3,3-dimethyl-2H-1,5-benzoxazepin-8-yl)-4-propyl-benzenesulfonamide Formula: C23H28N2O4S MolecularWeight: 428.54442

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)N(C(=O)C(CO3)(C)C)CC=C

Isomeric SMILES

CCCC1=CC=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)N(C(=O)C(CO3)(C)C)CC=C

InChI

InChI=1S/C23H28N2O4S/c1-5-7-17-8-11-19(12-9-17)30(27,28)24-18-10-13-20-21(15-18)29-16-23(3,4)22(26)25(20)14-6-2/h6,8-13,15,24H,2,5,7,14,16H2,1,3-4H3