(2-bromanyl-5-methyl-phenyl)-[3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbonylphenyl]sulfonyl-azanide

Systemtic Name: (2-bromanyl-5-methyl-phenyl)-[3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbonylphenyl]sulfonyl-azanide Openeye Name: (2-bromo-5-methyl-phenyl)-[3-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)phenyl]sulfonyl-azanide CAS Name: (2-bromo-5-methylphenyl)-[3-[oxo-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methyl]phenyl]sulfonylazanide IUPAC Name: (2-bromo-5-methylphenyl)-[3-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)phenyl]sulfonylazanide Traditional Name: (2-bromo-5-methyl-phenyl)-[3-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)phenyl]sulfonyl-azanide Formula: C23H23BrN4O3S MolecularWeight: 515.42272

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)Br)[N-]S(=O)(=O)C2=CC=CC(=C2)C(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

CC1=CC(=C(C=C1)Br)[N-]S(=O)(=O)C2=CC=CC(=C2)C(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C23H22BrN4O3S/c1-17-8-9-20(24)21(15-17)26-32(30,31)19-6-4-5-18(16-19)23(29)28-13-11-27(12-14-28)22-7-2-3-10-25-22/h2-10,15-16H,11-14H2,1H3/q-1/p+1