N-(3,3-dimethyl-4-oxidanylidene-5-prop-2-enyl-2H-1,5-benzoxazepin-8-yl)-1-methylsulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(3,3-dimethyl-4-oxidanylidene-5-prop-2-enyl-2H-1,5-benzoxazepin-8-yl)-1-methylsulfonyl-piperidine-4-carboxamide Openeye Name: N-(5-allyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-8-yl)-1-methylsulfonyl-piperidine-4-carboxamide CAS Name: N-(3,3-dimethyl-4-oxo-5-prop-2-enyl-2H-1,5-benzoxazepin-8-yl)-1-methylsulfonyl-4-piperidinecarboxamide IUPAC Name: N-(3,3-dimethyl-4-oxo-5-prop-2-enyl-2H-1,5-benzoxazepin-8-yl)-1-methylsulfonylpiperidine-4-carboxamide Traditional Name: N-(5-allyl-4-keto-3,3-dimethyl-2H-1,5-benzoxazepin-8-yl)-1-mesyl-isonipecotamide Formula: C21H29N3O5S MolecularWeight: 435.53706

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Descriptors Computed from Structure

Canonical SMILES:

CC1(COC2=C(C=CC(=C2)NC(=O)C3CCN(CC3)S(=O)(=O)C)N(C1=O)CC=C)C

Isomeric SMILES

CC1(COC2=C(C=CC(=C2)NC(=O)C3CCN(CC3)S(=O)(=O)C)N(C1=O)CC=C)C

InChI

InChI=1S/C21H29N3O5S/c1-5-10-24-17-7-6-16(13-18(17)29-14-21(2,3)20(24)26)22-19(25)15-8-11-23(12-9-15)30(4,27)28/h5-7,13,15H,1,8-12,14H2,2-4H3,(H,22,25)