7-methylsulfonyl-N-[1-(phenylmethyl)piperidin-4-yl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide

Systemtic Name: 7-methylsulfonyl-N-[1-(phenylmethyl)piperidin-4-yl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide Openeye Name: N-(1-benzyl-4-piperidyl)-7-methylsulfonyl-2,3-dihydro-1,4-benzodioxine-5-carboxamide CAS Name: 7-methylsulfonyl-N-[1-(phenylmethyl)-4-piperidinyl]-2,3-dihydro-1,4-benzodioxin-5-carboxamide IUPAC Name: N-(1-benzylpiperidin-4-yl)-7-methylsulfonyl-2,3-dihydro-1,4-benzodioxine-5-carboxamide Traditional Name: N-(1-benzyl-4-piperidyl)-7-mesyl-2,3-dihydro-1,4-benzodioxin-5-carboxamide Formula: C22H26N2O5S MolecularWeight: 430.51724

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC2=C(C(=C1)C(=O)NC3CCN(CC3)CC4=CC=CC=C4)OCCO2

Isomeric SMILES

CS(=O)(=O)C1=CC2=C(C(=C1)C(=O)NC3CCN(CC3)CC4=CC=CC=C4)OCCO2

InChI

InChI=1S/C22H26N2O5S/c1-30(26,27)18-13-19(21-20(14-18)28-11-12-29-21)22(25)23-17-7-9-24(10-8-17)15-16-5-3-2-4-6-16/h2-6,13-14,17H,7-12,15H2,1H3,(H,23,25)