2-[(7-chloranyl-1,3-benzodioxol-5-yl)methylsulfonyl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone

Systemtic Name: 2-[(7-chloranyl-1,3-benzodioxol-5-yl)methylsulfonyl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone Openeye Name: 2-[(7-chloro-1,3-benzodioxol-5-yl)methylsulfonyl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone CAS Name: 2-[(7-chloro-1,3-benzodioxol-5-yl)methylsulfonyl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone IUPAC Name: 2-[(7-chloro-1,3-benzodioxol-5-yl)methylsulfonyl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone Traditional Name: 2-[(7-chloro-1,3-benzodioxol-5-yl)methylsulfonyl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone Formula: C19H18ClNO5S MolecularWeight: 407.86792

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)CS(=O)(=O)CC3=CC4=C(C(=C3)Cl)OCO4

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)CS(=O)(=O)CC3=CC4=C(C(=C3)Cl)OCO4

InChI

InChI=1S/C19H18ClNO5S/c20-16-7-13(8-17-19(16)26-12-25-17)10-27(23,24)11-18(22)21-6-5-14-3-1-2-4-15(14)9-21/h1-4,7-8H,5-6,9-12H2