2-[2,4-dimethyl-5-[(2-oxidanylidene-5-sulfamoyl-3H-indol-1-ium-1-ylidene)methyl]-1H-pyrrol-3-yl]-N-(2-pyrrolidin-1-ylethyl)ethanamide

Systemtic Name: 2-[2,4-dimethyl-5-[(2-oxidanylidene-5-sulfamoyl-3H-indol-1-ium-1-ylidene)methyl]-1H-pyrrol-3-yl]-N-(2-pyrrolidin-1-ylethyl)ethanamide Openeye Name: 2-[2,4-dimethyl-5-[(2-oxo-5-sulfamoyl-indolin-1-ium-1-ylidene)methyl]-1H-pyrrol-3-yl]-N-(2-pyrrolidin-1-ylethyl)acetamide CAS Name: 2-[2,4-dimethyl-5-[(2-oxo-5-sulfamoyl-3H-indol-1-ium-1-ylidene)methyl]-1H-pyrrol-3-yl]-N-[2-(1-pyrrolidinyl)ethyl]acetamide IUPAC Name: 2-[2,4-dimethyl-5-[(2-oxo-5-sulfamoyl-3H-indol-1-ium-1-ylidene)methyl]-1H-pyrrol-3-yl]-N-(2-pyrrolidin-1-ylethyl)acetamide Traditional Name: 2-[5-[(2-keto-5-sulfamoyl-indolin-1-ium-1-ylidene)methyl]-2,4-dimethyl-1H-pyrrol-3-yl]-N-(2-pyrrolidinoethyl)acetamide Formula: C23H30N5O4S+ MolecularWeight: 472.5804

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1CC(=O)NCCN2CCCC2)C)C=[N+]3C(=O)CC4=C3C=CC(=C4)S(=O)(=O)N

Isomeric SMILES

CC1=C(NC(=C1CC(=O)NCCN2CCCC2)C)C=[N+]3C(=O)CC4=C3C=CC(=C4)S(=O)(=O)N

InChI

InChI=1S/C23H29N5O4S/c1-15-19(13-22(29)25-7-10-27-8-3-4-9-27)16(2)26-20(15)14-28-21-6-5-18(33(24,31)32)11-17(21)12-23(28)30/h5-6,11,14H,3-4,7-10,12-13H2,1-2H3,(H3,24,25,29,31,32)/p+1