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

Systemtic Name: N-(2-diethylaminoethyl)-2-[2,4-dimethyl-5-[(2-oxidanylidene-5-sulfamoyl-3H-indol-1-ium-1-ylidene)methyl]-1H-pyrrol-3-yl]ethanamide Openeye Name: N-(2-diethylaminoethyl)-2-[2,4-dimethyl-5-[(2-oxo-5-sulfamoyl-indolin-1-ium-1-ylidene)methyl]-1H-pyrrol-3-yl]acetamide CAS Name: N-(2-diethylaminoethyl)-2-[2,4-dimethyl-5-[(2-oxo-5-sulfamoyl-3H-indol-1-ium-1-ylidene)methyl]-1H-pyrrol-3-yl]acetamide IUPAC Name: N-(2-diethylaminoethyl)-2-[2,4-dimethyl-5-[(2-oxo-5-sulfamoyl-3H-indol-1-ium-1-ylidene)methyl]-1H-pyrrol-3-yl]acetamide Traditional Name: N-(2-diethylaminoethyl)-2-[5-[(2-keto-5-sulfamoyl-indolin-1-ium-1-ylidene)methyl]-2,4-dimethyl-1H-pyrrol-3-yl]acetamide Formula: C23H32N5O4S+ MolecularWeight: 474.59628

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCNC(=O)CC1=C(NC(=C1C)C=[N+]2C(=O)CC3=C2C=CC(=C3)S(=O)(=O)N)C

Isomeric SMILES

CCN(CC)CCNC(=O)CC1=C(NC(=C1C)C=[N+]2C(=O)CC3=C2C=CC(=C3)S(=O)(=O)N)C

InChI

InChI=1S/C23H31N5O4S/c1-5-27(6-2)10-9-25-22(29)13-19-15(3)20(26-16(19)4)14-28-21-8-7-18(33(24,31)32)11-17(21)12-23(28)30/h7-8,11,14H,5-6,9-10,12-13H2,1-4H3,(H3,24,25,29,31,32)/p+1