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

Systemtic Name: N-(3,3-dimethyl-4-oxidanylidene-5-propyl-2H-1,5-benzoxazepin-8-yl)-1-methylsulfonyl-piperidine-4-carboxamide Openeye Name: N-(3,3-dimethyl-4-oxo-5-propyl-2H-1,5-benzoxazepin-8-yl)-1-methylsulfonyl-piperidine-4-carboxamide CAS Name: N-(3,3-dimethyl-4-oxo-5-propyl-2H-1,5-benzoxazepin-8-yl)-1-methylsulfonyl-4-piperidinecarboxamide IUPAC Name: N-(3,3-dimethyl-4-oxo-5-propyl-2H-1,5-benzoxazepin-8-yl)-1-methylsulfonylpiperidine-4-carboxamide Traditional Name: N-(4-keto-3,3-dimethyl-5-propyl-2H-1,5-benzoxazepin-8-yl)-1-mesyl-isonipecotamide Formula: C21H31N3O5S MolecularWeight: 437.55294

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)NC(=O)C3CCN(CC3)S(=O)(=O)C)OCC(C1=O)(C)C

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)NC(=O)C3CCN(CC3)S(=O)(=O)C)OCC(C1=O)(C)C

InChI

InChI=1S/C21H31N3O5S/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/h6-7,13,15H,5,8-12,14H2,1-4H3,(H,22,25)