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

Systemtic Name: N-(3-chloranyl-6-oxidanylidene-5H-benzo[b][1,4]benzoxazepin-8-yl)-1-methylsulfonyl-piperidine-4-carboxamide Openeye Name: N-(3-chloro-6-oxo-5H-benzo[b][1,4]benzoxazepin-8-yl)-1-methylsulfonyl-piperidine-4-carboxamide CAS Name: N-(3-chloro-6-oxo-5H-benzo[b][1,4]benzoxazepin-8-yl)-1-methylsulfonyl-4-piperidinecarboxamide IUPAC Name: N-(3-chloro-6-oxo-5H-benzo[b][1,4]benzoxazepin-8-yl)-1-methylsulfonylpiperidine-4-carboxamide Traditional Name: N-(3-chloro-6-keto-5H-benzo[b][1,4]benzoxazepin-8-yl)-1-mesyl-isonipecotamide Formula: C20H20ClN3O5S MolecularWeight: 449.9079

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCC(CC1)C(=O)NC2=CC3=C(C=C2)OC4=C(C=C(C=C4)Cl)NC3=O

Isomeric SMILES

CS(=O)(=O)N1CCC(CC1)C(=O)NC2=CC3=C(C=C2)OC4=C(C=C(C=C4)Cl)NC3=O

InChI

InChI=1S/C20H20ClN3O5S/c1-30(27,28)24-8-6-12(7-9-24)19(25)22-14-3-5-17-15(11-14)20(26)23-16-10-13(21)2-4-18(16)29-17/h2-5,10-12H,6-9H2,1H3,(H,22,25)(H,23,26)