N-(7-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-1-methylsulfonyl-piperidine-2-carboxamide

Systemtic Name: N-(7-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-1-methylsulfonyl-piperidine-2-carboxamide Openeye Name: N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-1-methylsulfonyl-piperidine-2-carboxamide CAS Name: N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-1-methylsulfonyl-2-piperidinecarboxamide IUPAC Name: N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-1-methylsulfonylpiperidine-2-carboxamide Traditional Name: N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-1-mesyl-pipecolinamide Formula: C16H21ClN2O5S MolecularWeight: 388.86634

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCCCC1C(=O)NC2=CC3=C(C=C2Cl)OCCCO3

Isomeric SMILES

CS(=O)(=O)N1CCCCC1C(=O)NC2=CC3=C(C=C2Cl)OCCCO3

InChI

InChI=1S/C16H21ClN2O5S/c1-25(21,22)19-6-3-2-5-13(19)16(20)18-12-10-15-14(9-11(12)17)23-7-4-8-24-15/h9-10,13H,2-8H2,1H3,(H,18,20)