4-(azepan-1-ylsulfonyl)-N-[2-(1H-benzimidazol-2-yl)-5-methyl-1H-pyrazol-2-ium-3-yl]benzamide

Systemtic Name: 4-(azepan-1-ylsulfonyl)-N-[2-(1H-benzimidazol-2-yl)-5-methyl-1H-pyrazol-2-ium-3-yl]benzamide Openeye Name: 4-(azepan-1-ylsulfonyl)-N-[2-(1H-benzimidazol-2-yl)-5-methyl-1H-pyrazol-2-ium-3-yl]benzamide CAS Name: 4-(1-azepanylsulfonyl)-N-[2-(1H-benzimidazol-2-yl)-5-methyl-1H-pyrazol-2-ium-3-yl]benzamide IUPAC Name: 4-(azepan-1-ylsulfonyl)-N-[2-(1H-benzimidazol-2-yl)-5-methyl-1H-pyrazol-2-ium-3-yl]benzamide Traditional Name: 4-(azepan-1-ylsulfonyl)-N-[2-(1H-benzimidazol-2-yl)-5-methyl-1H-pyrazol-2-ium-3-yl]benzamide Formula: C24H27N6O3S+ MolecularWeight: 479.57458

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[N+](N1)C2=NC3=CC=CC=C3N2)NC(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCCCCC5

Isomeric SMILES

CC1=CC(=[N+](N1)C2=NC3=CC=CC=C3N2)NC(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCCCCC5

InChI

InChI=1S/C24H26N6O3S/c1-17-16-22(30(28-17)24-25-20-8-4-5-9-21(20)26-24)27-23(31)18-10-12-19(13-11-18)34(32,33)29-14-6-2-3-7-15-29/h4-5,8-13,16H,2-3,6-7,14-15H2,1H3,(H2,25,26,27,28,31)/p+1