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

Systemtic Name: N-(3-methyl-6-oxidanylidene-5H-benzo[b][1,4]benzoxazepin-8-yl)-1-methylsulfonyl-piperidine-4-carboxamide Openeye Name: N-(3-methyl-6-oxo-5H-benzo[b][1,4]benzoxazepin-8-yl)-1-methylsulfonyl-piperidine-4-carboxamide CAS Name: N-(3-methyl-6-oxo-5H-benzo[b][1,4]benzoxazepin-8-yl)-1-methylsulfonyl-4-piperidinecarboxamide IUPAC Name: N-(3-methyl-6-oxo-5H-benzo[b][1,4]benzoxazepin-8-yl)-1-methylsulfonylpiperidine-4-carboxamide Traditional Name: N-(6-keto-3-methyl-5H-benzo[b][1,4]benzoxazepin-8-yl)-1-mesyl-isonipecotamide Formula: C21H23N3O5S MolecularWeight: 429.48942

Click to see the large picture

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)N2

Isomeric SMILES

CC1=CC2=C(C=C1)OC3=C(C=C(C=C3)NC(=O)C4CCN(CC4)S(=O)(=O)C)C(=O)N2

InChI

InChI=1S/C21H23N3O5S/c1-13-3-5-19-17(11-13)23-21(26)16-12-15(4-6-18(16)29-19)22-20(25)14-7-9-24(10-8-14)30(2,27)28/h3-6,11-12,14H,7-10H2,1-2H3,(H,22,25)(H,23,26)