methyl 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperidine-2-carboxylate

Systemtic Name: methyl 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperidine-2-carboxylate Openeye Name: methyl 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperidine-2-carboxylate CAS Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-2-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperidine-2-carboxylate Traditional Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)pipecolinic acid methyl ester Formula: C16H21NO6S MolecularWeight: 355.40604

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCCCN1S(=O)(=O)C2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

COC(=O)C1CCCCN1S(=O)(=O)C2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C16H21NO6S/c1-21-16(18)13-5-2-3-8-17(13)24(19,20)12-6-7-14-15(11-12)23-10-4-9-22-14/h6-7,11,13H,2-5,8-10H2,1H3