ethyl 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-(phenylmethyl)piperidine-4-carboxylate

Systemtic Name: ethyl 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-(phenylmethyl)piperidine-4-carboxylate Openeye Name: ethyl 4-benzyl-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidine-4-carboxylate CAS Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-(phenylmethyl)-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-benzyl-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidine-4-carboxylate Traditional Name: 4-benzyl-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)isonipecotic acid ethyl ester Formula: C23H27NO6S MolecularWeight: 445.52858

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)OCCO3)CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)OCCO3)CC4=CC=CC=C4

InChI

InChI=1S/C23H27NO6S/c1-2-28-22(25)23(17-18-6-4-3-5-7-18)10-12-24(13-11-23)31(26,27)19-8-9-20-21(16-19)30-15-14-29-20/h3-9,16H,2,10-15,17H2,1H3