N-[2-(2-dimethylaminoethyl)-1-oxidanylidene-isoquinolin-5-yl]-4-methylsulfonyl-benzamide

Systemtic Name: N-[2-(2-dimethylaminoethyl)-1-oxidanylidene-isoquinolin-5-yl]-4-methylsulfonyl-benzamide Openeye Name: N-[2-(2-dimethylaminoethyl)-1-oxo-5-isoquinolyl]-4-methylsulfonyl-benzamide CAS Name: N-[2-(2-dimethylaminoethyl)-1-oxo-5-isoquinolinyl]-4-methylsulfonylbenzamide IUPAC Name: N-[2-(2-dimethylaminoethyl)-1-oxoisoquinolin-5-yl]-4-methylsulfonylbenzamide Traditional Name: N-[2-(2-dimethylaminoethyl)-1-keto-5-isoquinolyl]-4-mesyl-benzamide Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O4S/c1-23(2)13-14-24-12-11-17-18(21(24)26)5-4-6-19(17)22-20(25)15-7-9-16(10-8-15)29(3,27)28/h4-12H,13-14H2,1-3H3,(H,22,25)