N-(3,5-dimethyl-6-oxidanylidene-benzo[b][1,4]benzoxazepin-8-yl)-1-methylsulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(3,5-dimethyl-6-oxidanylidene-benzo[b][1,4]benzoxazepin-8-yl)-1-methylsulfonyl-piperidine-4-carboxamide Openeye Name: N-(3,5-dimethyl-6-oxo-benzo[b][1,4]benzoxazepin-8-yl)-1-methylsulfonyl-piperidine-4-carboxamide CAS Name: N-(3,5-dimethyl-6-oxo-8-benzo[b][1,4]benzoxazepinyl)-1-methylsulfonyl-4-piperidinecarboxamide IUPAC Name: N-(3,5-dimethyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)-1-methylsulfonylpiperidine-4-carboxamide Traditional Name: N-(6-keto-3,5-dimethyl-benzo[b][1,4]benzoxazepin-8-yl)-1-mesyl-isonipecotamide Formula: C22H25N3O5S MolecularWeight: 443.516

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC3=C(C=C(C=C3)NC(=O)C4CCN(CC4)S(=O)(=O)C)C(=O)N2C

Isomeric SMILES

CC1=CC2=C(C=C1)OC3=C(C=C(C=C3)NC(=O)C4CCN(CC4)S(=O)(=O)C)C(=O)N2C

InChI

InChI=1S/C22H25N3O5S/c1-14-4-6-20-18(12-14)24(2)22(27)17-13-16(5-7-19(17)30-20)23-21(26)15-8-10-25(11-9-15)31(3,28)29/h4-7,12-13,15H,8-11H2,1-3H3,(H,23,26)