4-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]-methylsulfonyl-amino]-N,N-dimethyl-benzamide

Systemtic Name: 4-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]-methylsulfonyl-amino]-N,N-dimethyl-benzamide Openeye Name: 4-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]-methylsulfonyl-amino]-N,N-dimethyl-benzamide CAS Name: 4-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-methylsulfonylamino]-N,N-dimethylbenzamide IUPAC Name: 4-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-methylsulfonylamino]-N,N-dimethylbenzamide Traditional Name: 4-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl]-mesyl-amino]-N,N-dimethyl-benzamide Formula: C21H25N3O4S MolecularWeight: 415.5059

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)C1=CC=C(C=C1)N(CC(=O)N2CCC3=CC=CC=C3C2)S(=O)(=O)C

Isomeric SMILES

CN(C)C(=O)C1=CC=C(C=C1)N(CC(=O)N2CCC3=CC=CC=C3C2)S(=O)(=O)C

InChI

InChI=1S/C21H25N3O4S/c1-22(2)21(26)17-8-10-19(11-9-17)24(29(3,27)28)15-20(25)23-13-12-16-6-4-5-7-18(16)14-23/h4-11H,12-15H2,1-3H3