N-[2-(2-dimethylaminoethyl)-1-oxidanylidene-isoquinolin-5-yl]-3-(4-methylsulfonylphenyl)propanamide

Systemtic Name: N-[2-(2-dimethylaminoethyl)-1-oxidanylidene-isoquinolin-5-yl]-3-(4-methylsulfonylphenyl)propanamide Openeye Name: N-[2-(2-dimethylaminoethyl)-1-oxo-5-isoquinolyl]-3-(4-methylsulfonylphenyl)propanamide CAS Name: N-[2-(2-dimethylaminoethyl)-1-oxo-5-isoquinolinyl]-3-(4-methylsulfonylphenyl)propanamide IUPAC Name: N-[2-(2-dimethylaminoethyl)-1-oxoisoquinolin-5-yl]-3-(4-methylsulfonylphenyl)propanamide Traditional Name: N-[2-(2-dimethylaminoethyl)-1-keto-5-isoquinolyl]-3-(4-mesylphenyl)propionamide Formula: C23H27N3O4S MolecularWeight: 441.54318

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCN1C=CC2=C(C1=O)C=CC=C2NC(=O)CCC3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CN(C)CCN1C=CC2=C(C1=O)C=CC=C2NC(=O)CCC3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C23H27N3O4S/c1-25(2)15-16-26-14-13-19-20(23(26)28)5-4-6-21(19)24-22(27)12-9-17-7-10-18(11-8-17)31(3,29)30/h4-8,10-11,13-14H,9,12,15-16H2,1-3H3,(H,24,27)