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

Systemtic Name: 2-chloranyl-N-(5-methyl-2-pyridin-2-yl-1H-pyrazol-2-ium-3-yl)-5-morpholin-4-ylsulfonyl-benzamide Openeye Name: 2-chloro-N-[5-methyl-2-(2-pyridyl)-1H-pyrazol-2-ium-3-yl]-5-morpholinosulfonyl-benzamide CAS Name: 2-chloro-N-[5-methyl-2-(2-pyridinyl)-1H-pyrazol-2-ium-3-yl]-5-(4-morpholinylsulfonyl)benzamide IUPAC Name: 2-chloro-N-(5-methyl-2-pyridin-2-yl-1H-pyrazol-2-ium-3-yl)-5-morpholin-4-ylsulfonylbenzamide Traditional Name: 2-chloro-N-[5-methyl-2-(2-pyridyl)-1H-pyrazol-2-ium-3-yl]-5-morpholinosulfonyl-benzamide Formula: C20H21ClN5O4S+ MolecularWeight: 462.92984

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[N+](N1)C2=CC=CC=N2)NC(=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCOCC4)Cl

Isomeric SMILES

CC1=CC(=[N+](N1)C2=CC=CC=N2)NC(=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCOCC4)Cl

InChI

InChI=1S/C20H20ClN5O4S/c1-14-12-19(26(24-14)18-4-2-3-7-22-18)23-20(27)16-13-15(5-6-17(16)21)31(28,29)25-8-10-30-11-9-25/h2-7,12-13H,8-11H2,1H3,(H,23,24,27)/p+1