N-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-3-yl-ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

Systemtic Name: N-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-3-yl-ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Openeye Name: N-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-thienyl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide CAS Name: N-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-thiophenyl)ethyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide IUPAC Name: N-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-3-ylethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Traditional Name: N-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-thienyl)ethyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide Formula: C23H24N2O4S2 MolecularWeight: 456.57766

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(CNS(=O)(=O)C3=CC4=C(C=C3)OCCO4)C5=CSC=C5

Isomeric SMILES

C1CN(CC2=CC=CC=C21)[C@@H](CNS(=O)(=O)C3=CC4=C(C=C3)OCCO4)C5=CSC=C5

InChI

InChI=1S/C23H24N2O4S2/c26-31(27,20-5-6-22-23(13-20)29-11-10-28-22)24-14-21(19-8-12-30-16-19)25-9-7-17-3-1-2-4-18(17)15-25/h1-6,8,12-13,16,21,24H,7,9-11,14-15H2/t21-/m0/s1