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

Systemtic Name: 3-(azepan-1-ylsulfonyl)-N-(5-methyl-2-pyridin-2-yl-1H-pyrazol-2-ium-3-yl)benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-N-[5-methyl-2-(2-pyridyl)-1H-pyrazol-2-ium-3-yl]benzamide CAS Name: 3-(1-azepanylsulfonyl)-N-[5-methyl-2-(2-pyridinyl)-1H-pyrazol-2-ium-3-yl]benzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-N-(5-methyl-2-pyridin-2-yl-1H-pyrazol-2-ium-3-yl)benzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-N-[5-methyl-2-(2-pyridyl)-1H-pyrazol-2-ium-3-yl]benzamide Formula: C22H26N5O3S+ MolecularWeight: 440.53854

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[N+](N1)C2=CC=CC=N2)NC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC1=CC(=[N+](N1)C2=CC=CC=N2)NC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C22H25N5O3S/c1-17-15-21(27(25-17)20-11-4-5-12-23-20)24-22(28)18-9-8-10-19(16-18)31(29,30)26-13-6-2-3-7-14-26/h4-5,8-12,15-16H,2-3,6-7,13-14H2,1H3,(H,24,25,28)/p+1