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

Systemtic Name: methyl 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-4-phenyl-piperidine-4-carboxylate Openeye Name: methyl 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-4-phenyl-piperidine-4-carboxylate CAS Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-4-phenyl-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-4-phenylpiperidine-4-carboxylate Traditional Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-4-phenyl-isonipecotic acid methyl ester Formula: C22H25NO6S MolecularWeight: 431.502

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)OCCCO3)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1(CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)OCCCO3)C4=CC=CC=C4

InChI

InChI=1S/C22H25NO6S/c1-27-21(24)22(17-6-3-2-4-7-17)10-12-23(13-11-22)30(25,26)18-8-9-19-20(16-18)29-15-5-14-28-19/h2-4,6-9,16H,5,10-15H2,1H3