N-[2-[3-(dimethylaminomethyl)-6-methoxy-1-oxidanylidene-4-phenyl-isoquinolin-2-yl]ethyl]thiophene-2-sulfonamide

Systemtic Name: N-[2-[3-(dimethylaminomethyl)-6-methoxy-1-oxidanylidene-4-phenyl-isoquinolin-2-yl]ethyl]thiophene-2-sulfonamide Openeye Name: N-[2-[3-(dimethylaminomethyl)-6-methoxy-1-oxo-4-phenyl-2-isoquinolyl]ethyl]thiophene-2-sulfonamide CAS Name: N-[2-[3-(dimethylaminomethyl)-6-methoxy-1-oxo-4-phenyl-2-isoquinolinyl]ethyl]-2-thiophenesulfonamide IUPAC Name: N-[2-[3-(dimethylaminomethyl)-6-methoxy-1-oxo-4-phenylisoquinolin-2-yl]ethyl]thiophene-2-sulfonamide Traditional Name: N-[2-[3-(dimethylaminomethyl)-1-keto-6-methoxy-4-phenyl-2-isoquinolyl]ethyl]thiophene-2-sulfonamide Formula: C25H27N3O4S2 MolecularWeight: 497.62958

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1=C(C2=C(C=CC(=C2)OC)C(=O)N1CCNS(=O)(=O)C3=CC=CS3)C4=CC=CC=C4

Isomeric SMILES

CN(C)CC1=C(C2=C(C=CC(=C2)OC)C(=O)N1CCNS(=O)(=O)C3=CC=CS3)C4=CC=CC=C4

InChI

InChI=1S/C25H27N3O4S2/c1-27(2)17-22-24(18-8-5-4-6-9-18)21-16-19(32-3)11-12-20(21)25(29)28(22)14-13-26-34(30,31)23-10-7-15-33-23/h4-12,15-16,26H,13-14,17H2,1-3H3