N-[2-(1,3-benzodioxol-5-ylsulfonyl)-2-pyridin-3-yl-ethyl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethanamide

Systemtic Name: N-[2-(1,3-benzodioxol-5-ylsulfonyl)-2-pyridin-3-yl-ethyl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethanamide Openeye Name: N-[2-(1,3-benzodioxol-5-ylsulfonyl)-2-(3-pyridyl)ethyl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-acetamide CAS Name: N-[2-(1,3-benzodioxol-5-ylsulfonyl)-2-(3-pyridinyl)ethyl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoacetamide IUPAC Name: N-[2-(1,3-benzodioxol-5-ylsulfonyl)-2-pyridin-3-ylethyl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoacetamide Traditional Name: N-[2-(1,3-benzodioxol-5-ylsulfonyl)-2-(3-pyridyl)ethyl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-acetamide Formula: C25H23N3O6S MolecularWeight: 493.53162

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)C(=O)NCC(C3=CN=CC=C3)S(=O)(=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)C(=O)NCC(C3=CN=CC=C3)S(=O)(=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C25H23N3O6S/c29-24(25(30)28-11-9-17-4-1-2-5-19(17)15-28)27-14-23(18-6-3-10-26-13-18)35(31,32)20-7-8-21-22(12-20)34-16-33-21/h1-8,10,12-13,23H,9,11,14-16H2,(H,27,29)