(3R)-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-ethyl-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: (3R)-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-ethyl-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3R)-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-ethyl-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: (3R)-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-ethyl-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3R)-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-ethyl-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3R)-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-ethyl-2-mesyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C22H26N2O5S MolecularWeight: 430.51724

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1COC2=CC=CC=C2O1)C(=O)C3CC4=CC=CC=C4CN3S(=O)(=O)C

Isomeric SMILES

CCN(C[C@H]1COC2=CC=CC=C2O1)C(=O)[C@H]3CC4=CC=CC=C4CN3S(=O)(=O)C

InChI

InChI=1S/C22H26N2O5S/c1-3-23(14-18-15-28-20-10-6-7-11-21(20)29-18)22(25)19-12-16-8-4-5-9-17(16)13-24(19)30(2,26)27/h4-11,18-19H,3,12-15H2,1-2H3/t18-,19+/m0/s1