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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)C1(C2=CC=CC=C2C(=S(=O)=O)C([N+]1=O)(C3=C(C=C(C=C3)OC)OC)C4=CC=CC=C4OC)C5=CNC6=CC=CC=C65

Isomeric SMILES

CN(C)C(=O)C1(C2=CC=CC=C2C(=S(=O)=O)C([N+]1=O)(C3=C(C=C(C=C3)OC)OC)C4=CC=CC=C4OC)C5=CNC6=CC=CC=C65

InChI

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