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

Systemtic Name: 2-(4-methoxyphenoxy)ethyl 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperidine-4-carboxylate Openeye Name: 2-(4-methoxyphenoxy)ethyl 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperidine-4-carboxylate CAS Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-4-piperidinecarboxylic acid 2-(4-methoxyphenoxy)ethyl ester IUPAC Name: 2-(4-methoxyphenoxy)ethyl 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperidine-4-carboxylate Traditional Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)isonipecotic acid 2-(4-methoxyphenoxy)ethyl ester Formula: C24H29NO8S MolecularWeight: 491.55396

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OCCOC(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

COC1=CC=C(C=C1)OCCOC(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C24H29NO8S/c1-29-19-3-5-20(6-4-19)30-15-16-33-24(26)18-9-11-25(12-10-18)34(27,28)21-7-8-22-23(17-21)32-14-2-13-31-22/h3-8,17-18H,2,9-16H2,1H3