6-[5-(dimethylsulfamoyl)-2-oxidanylidene-3H-indol-1-ium-1-ylidene]-2-methyl-4,5-dihydro-1H-cyclopenta[b]pyrrole-3-carboxylic acid

Systemtic Name: 6-[5-(dimethylsulfamoyl)-2-oxidanylidene-3H-indol-1-ium-1-ylidene]-2-methyl-4,5-dihydro-1H-cyclopenta[b]pyrrole-3-carboxylic acid Openeye Name: 6-[5-(dimethylsulfamoyl)-2-oxo-indolin-1-ium-1-ylidene]-2-methyl-4,5-dihydro-1H-cyclopenta[b]pyrrole-3-carboxylic acid CAS Name: 6-[5-(dimethylsulfamoyl)-2-oxo-3H-indol-1-ium-1-ylidene]-2-methyl-4,5-dihydro-1H-cyclopenta[b]pyrrole-3-carboxylic acid IUPAC Name: 6-[5-(dimethylsulfamoyl)-2-oxo-3H-indol-1-ium-1-ylidene]-2-methyl-4,5-dihydro-1H-cyclopenta[b]pyrrole-3-carboxylic acid Traditional Name: 6-[5-(dimethylsulfamoyl)-2-keto-indolin-1-ium-1-ylidene]-2-methyl-4,5-dihydro-1H-cyclopenta[b]pyrrole-3-carboxylic acid Formula: C19H20N3O5S+ MolecularWeight: 402.4442

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1)C(=[N+]3C(=O)CC4=C3C=CC(=C4)S(=O)(=O)N(C)C)CC2)C(=O)O

Isomeric SMILES

CC1=C(C2=C(N1)C(=[N+]3C(=O)CC4=C3C=CC(=C4)S(=O)(=O)N(C)C)CC2)C(=O)O

InChI

InChI=1S/C19H19N3O5S/c1-10-17(19(24)25)13-5-7-15(18(13)20-10)22-14-6-4-12(28(26,27)21(2)3)8-11(14)9-16(22)23/h4,6,8H,5,7,9H2,1-3H3,(H,24,25)/p+1