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

Systemtic Name: N-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-2-yl-ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Openeye Name: N-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(2-thienyl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide CAS Name: N-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-2-ylethyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide IUPAC Name: N-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-2-ylethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Traditional Name: N-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(2-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=CC=CS5

Isomeric SMILES

C1CN(CC2=CC=CC=C21)[C@@H](CNS(=O)(=O)C3=CC4=C(C=C3)OCCO4)C5=CC=CS5

InChI

InChI=1S/C23H24N2O4S2/c26-31(27,19-7-8-21-22(14-19)29-12-11-28-21)24-15-20(23-6-3-13-30-23)25-10-9-17-4-1-2-5-18(17)16-25/h1-8,13-14,20,24H,9-12,15-16H2/t20-/m0/s1