(4-acetamidophenyl)sulfonyl-(3-pyridin-1-ium-1-ylquinoxalin-2-yl)azanide

Systemtic Name: (4-acetamidophenyl)sulfonyl-(3-pyridin-1-ium-1-ylquinoxalin-2-yl)azanide Openeye Name: (4-acetamidophenyl)sulfonyl-(3-pyridin-1-ium-1-ylquinoxalin-2-yl)azanide CAS Name: (4-acetamidophenyl)sulfonyl-[3-(1-pyridin-1-iumyl)-2-quinoxalinyl]azanide IUPAC Name: (4-acetamidophenyl)sulfonyl-(3-pyridin-1-ium-1-ylquinoxalin-2-yl)azanide Traditional Name: (4-acetamidophenyl)sulfonyl-(3-pyridin-1-ium-1-ylquinoxalin-2-yl)azanide Formula: C21H17N5O3S MolecularWeight: 419.45638

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)[N-]C2=NC3=CC=CC=C3N=C2[N+]4=CC=CC=C4

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)[N-]C2=NC3=CC=CC=C3N=C2[N+]4=CC=CC=C4

InChI

InChI=1S/C21H17N5O3S/c1-15(27)22-16-9-11-17(12-10-16)30(28,29)25-20-21(26-13-5-2-6-14-26)24-19-8-4-3-7-18(19)23-20/h2-14H,1H3,(H-,22,23,25,27)