N-[3-methyl-1-[[1-(1-oxidanidylpyridin-1-ium-2-yl)sulfonyl-3-oxidanylidene-azepan-4-yl]amino]-1-oxidanylidene-butan-2-yl]quinoxaline-2-carboxamide

Systemtic Name: N-[3-methyl-1-[[1-(1-oxidanidylpyridin-1-ium-2-yl)sulfonyl-3-oxidanylidene-azepan-4-yl]amino]-1-oxidanylidene-butan-2-yl]quinoxaline-2-carboxamide Openeye Name: N-[2-methyl-1-[[1-(1-oxidopyridin-1-ium-2-yl)sulfonyl-3-oxo-azepan-4-yl]carbamoyl]propyl]quinoxaline-2-carboxamide CAS Name: N-[3-methyl-1-[[1-[(1-oxido-2-pyridin-1-iumyl)sulfonyl]-3-oxo-4-azepanyl]amino]-1-oxobutan-2-yl]-2-quinoxalinecarboxamide IUPAC Name: N-[3-methyl-1-[[1-(1-oxidopyridin-1-ium-2-yl)sulfonyl-3-oxoazepan-4-yl]amino]-1-oxobutan-2-yl]quinoxaline-2-carboxamide Traditional Name: N-[1-[[3-keto-1-(1-oxidopyridin-1-ium-2-yl)sulfonyl-azepan-4-yl]carbamoyl]-2-methyl-propyl]quinoxaline-2-carboxamide Formula: C25H28N6O6S MolecularWeight: 540.59142

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC1CCCN(CC1=O)S(=O)(=O)C2=CC=CC=[N+]2[O-])NC(=O)C3=NC4=CC=CC=C4N=C3

Isomeric SMILES

CC(C)C(C(=O)NC1CCCN(CC1=O)S(=O)(=O)C2=CC=CC=[N+]2[O-])NC(=O)C3=NC4=CC=CC=C4N=C3

InChI

InChI=1S/C25H28N6O6S/c1-16(2)23(29-24(33)20-14-26-17-8-3-4-9-18(17)27-20)25(34)28-19-10-7-12-30(15-21(19)32)38(36,37)22-11-5-6-13-31(22)35/h3-6,8-9,11,13-14,16,19,23H,7,10,12,15H2,1-2H3,(H,28,34)(H,29,33)