N-(1,3-benzodioxol-5-ylmethyl)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: 2-esyl-N-piperonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C20H22N2O5S MolecularWeight: 402.46408

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H22N2O5S/c1-2-28(24,25)22-12-16-6-4-3-5-15(16)10-17(22)20(23)21-11-14-7-8-18-19(9-14)27-13-26-18/h3-9,17H,2,10-13H2,1H3,(H,21,23)