(8-methyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 3-(2,3-dihydroindol-1-ylsulfonyl)benzoate

Systemtic Name: (8-methyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 3-(2,3-dihydroindol-1-ylsulfonyl)benzoate Openeye Name: (8-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 3-indolin-1-ylsulfonylbenzoate CAS Name: 3-(2,3-dihydroindol-1-ylsulfonyl)benzoic acid (8-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl ester IUPAC Name: (8-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 3-(2,3-dihydroindol-1-ylsulfonyl)benzoate Traditional Name: 3-indolin-1-ylsulfonylbenzoic acid (4-keto-8-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl ester Formula: C25H22N3O5S+ MolecularWeight: 476.52428

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=[N+](C=C1)C(=O)C=C(N2)COC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCC5=CC=CC=C54

Isomeric SMILES

CC1=CC2=[N+](C=C1)C(=O)C=C(N2)COC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCC5=CC=CC=C54

InChI

InChI=1S/C25H21N3O5S/c1-17-9-11-27-23(13-17)26-20(15-24(27)29)16-33-25(30)19-6-4-7-21(14-19)34(31,32)28-12-10-18-5-2-3-8-22(18)28/h2-9,11,13-15H,10,12,16H2,1H3/p+1