2-methyl-N-(5-methyl-2-pyridin-2-yl-1H-pyrazol-2-ium-3-yl)-5-morpholin-4-ylsulfonyl-benzamide

Systemtic Name: 2-methyl-N-(5-methyl-2-pyridin-2-yl-1H-pyrazol-2-ium-3-yl)-5-morpholin-4-ylsulfonyl-benzamide Openeye Name: 2-methyl-N-[5-methyl-2-(2-pyridyl)-1H-pyrazol-2-ium-3-yl]-5-morpholinosulfonyl-benzamide CAS Name: 2-methyl-N-[5-methyl-2-(2-pyridinyl)-1H-pyrazol-2-ium-3-yl]-5-(4-morpholinylsulfonyl)benzamide IUPAC Name: 2-methyl-N-(5-methyl-2-pyridin-2-yl-1H-pyrazol-2-ium-3-yl)-5-morpholin-4-ylsulfonylbenzamide Traditional Name: 2-methyl-N-[5-methyl-2-(2-pyridyl)-1H-pyrazol-2-ium-3-yl]-5-morpholinosulfonyl-benzamide Formula: C21H24N5O4S+ MolecularWeight: 442.51136

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)C(=O)NC3=[N+](NC(=C3)C)C4=CC=CC=N4

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)C(=O)NC3=[N+](NC(=C3)C)C4=CC=CC=N4

InChI

InChI=1S/C21H23N5O4S/c1-15-6-7-17(31(28,29)25-9-11-30-12-10-25)14-18(15)21(27)23-20-13-16(2)24-26(20)19-5-3-4-8-22-19/h3-8,13-14H,9-12H2,1-2H3,(H,23,24,27)/p+1