4-chloranyl-N-[(7-methyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl]-3-nitro-N-phenyl-benzenesulfonamide

Systemtic Name: 4-chloranyl-N-[(7-methyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl]-3-nitro-N-phenyl-benzenesulfonamide Openeye Name: 4-chloro-N-[(7-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl]-3-nitro-N-phenyl-benzenesulfonamide CAS Name: 4-chloro-N-[(7-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl]-3-nitro-N-phenylbenzenesulfonamide IUPAC Name: 4-chloro-N-[(7-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl]-3-nitro-N-phenylbenzenesulfonamide Traditional Name: 4-chloro-N-[(4-keto-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl]-3-nitro-N-phenyl-benzenesulfonamide Formula: C22H18ClN4O5S+ MolecularWeight: 485.92012

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+]2=C(C=C1)NC(=CC2=O)CN(C3=CC=CC=C3)S(=O)(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=C[N+]2=C(C=C1)NC(=CC2=O)CN(C3=CC=CC=C3)S(=O)(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C22H17ClN4O5S/c1-15-7-10-21-24-16(11-22(28)25(21)13-15)14-26(17-5-3-2-4-6-17)33(31,32)18-8-9-19(23)20(12-18)27(29)30/h2-13H,14H2,1H3/p+1