1-(2,4-dimethoxyphenyl)-1-(1H-indol-3-yl)-3-(2-methoxyphenyl)-N,N-dimethyl-2-oxidanylidene-4-sulfonyl-isoquinolin-2-ium-3-carboxamide

Systemtic Name: 1-(2,4-dimethoxyphenyl)-1-(1H-indol-3-yl)-3-(2-methoxyphenyl)-N,N-dimethyl-2-oxidanylidene-4-sulfonyl-isoquinolin-2-ium-3-carboxamide Openeye Name: 1-(2,4-dimethoxyphenyl)-1-(1H-indol-3-yl)-3-(2-methoxyphenyl)-N,N-dimethyl-2-oxo-4-sulfonyl-isoquinolin-2-ium-3-carboxamide CAS Name: 1-(2,4-dimethoxyphenyl)-1-(1H-indol-3-yl)-3-(2-methoxyphenyl)-N,N-dimethyl-2-oxo-4-sulfonyl-3-isoquinolin-2-iumcarboxamide IUPAC Name: 1-(2,4-dimethoxyphenyl)-1-(1H-indol-3-yl)-3-(2-methoxyphenyl)-N,N-dimethyl-2-oxo-4-sulfonylisoquinolin-2-ium-3-carboxamide Traditional Name: 1-(2,4-dimethoxyphenyl)-1-(1H-indol-3-yl)-2-keto-3-(2-methoxyphenyl)-N,N-dimethyl-4-sulfonyl-isoquinolin-2-ium-3-carboxamide Formula: C35H32N3O7S+ MolecularWeight: 638.70948

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)C1(C(=S(=O)=O)C2=CC=CC=C2C([N+]1=O)(C3=C(C=C(C=C3)OC)OC)C4=CNC5=CC=CC=C54)C6=CC=CC=C6OC

Isomeric SMILES

CN(C)C(=O)C1(C(=S(=O)=O)C2=CC=CC=C2C([N+]1=O)(C3=C(C=C(C=C3)OC)OC)C4=CNC5=CC=CC=C54)C6=CC=CC=C6OC

InChI

InChI=1S/C35H32N3O7S/c1-37(2)33(39)35(26-15-9-11-17-30(26)44-4)32(46(41)42)24-13-6-8-14-25(24)34(38(35)40,27-19-18-22(43-3)20-31(27)45-5)28-21-36-29-16-10-7-12-23(28)29/h6-21,36H,1-5H3/q+1