[5-aminocarbonyl-1-(3-fluorophenyl)-8-methyl-2-(quinoxalin-2-ylcarbonylamino)-8-sulfooxy-nonan-3-yl] hydrogen sulfate

Systemtic Name: [5-aminocarbonyl-1-(3-fluorophenyl)-8-methyl-2-(quinoxalin-2-ylcarbonylamino)-8-sulfooxy-nonan-3-yl] hydrogen sulfate Openeye Name: [4-carbamoyl-8-(3-fluorophenyl)-1,1-dimethyl-7-(quinoxaline-2-carbonylamino)-6-sulfooxy-octyl] hydrogen sulfate CAS Name: sulfuric acid [5-carbamoyl-1-(3-fluorophenyl)-8-methyl-2-[[oxo(2-quinoxalinyl)methyl]amino]-8-sulfooxynonan-3-yl] ester IUPAC Name: [5-carbamoyl-1-(3-fluorophenyl)-8-methyl-2-(quinoxaline-2-carbonylamino)-8-sulfooxynonan-3-yl] hydrogen sulfate Traditional Name: sulfuric acid [4-carbamoyl-8-(3-fluorophenyl)-1,1-dimethyl-7-(quinoxaline-2-carbonylamino)-6-sulfoxy-octyl] ester Formula: C26H31FN4O10S2 MolecularWeight: 642.673543

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCC(CC(C(CC1=CC(=CC=C1)F)NC(=O)C2=NC3=CC=CC=C3N=C2)OS(=O)(=O)O)C(=O)N)OS(=O)(=O)O

Isomeric SMILES

CC(C)(CCC(CC(C(CC1=CC(=CC=C1)F)NC(=O)C2=NC3=CC=CC=C3N=C2)OS(=O)(=O)O)C(=O)N)OS(=O)(=O)O

InChI

InChI=1S/C26H31FN4O10S2/c1-26(2,41-43(37,38)39)11-10-17(24(28)32)14-23(40-42(34,35)36)21(13-16-6-5-7-18(27)12-16)31-25(33)22-15-29-19-8-3-4-9-20(19)30-22/h3-9,12,15,17,21,23H,10-11,13-14H2,1-2H3,(H2,28,32)(H,31,33)(H,34,35,36)(H,37,38,39)