4-(4-but-2-ynoxyphenyl)sulfonyl-1-ethanoyl-7-fluoranyl-N-oxidanyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxamide

Systemtic Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-1-ethanoyl-7-fluoranyl-N-oxidanyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxamide Openeye Name: 1-acetyl-4-(4-but-2-ynoxyphenyl)sulfonyl-7-fluoro-3,5-dihydro-2H-1,4-benzodiazepine-3-carbohydroxamic acid CAS Name: 1-acetyl-4-(4-but-2-ynoxyphenyl)sulfonyl-7-fluoro-N-hydroxy-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxamide IUPAC Name: 1-acetyl-4-(4-but-2-ynoxyphenyl)sulfonyl-7-fluoro-N-hydroxy-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxamide Traditional Name: 1-acetyl-4-(4-but-2-ynoxyphenyl)sulfonyl-7-fluoro-3,5-dihydro-2H-1,4-benzodiazepine-3-carbohydroxamic acid Formula: C22H22FN3O6S MolecularWeight: 475.489983

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=C(C=C1)S(=O)(=O)N2CC3=C(C=CC(=C3)F)N(CC2C(=O)NO)C(=O)C

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)S(=O)(=O)N2CC3=C(C=CC(=C3)F)N(CC2C(=O)NO)C(=O)C

InChI

InChI=1S/C22H22FN3O6S/c1-3-4-11-32-18-6-8-19(9-7-18)33(30,31)26-13-16-12-17(23)5-10-20(16)25(15(2)27)14-21(26)22(28)24-29/h5-10,12,21,29H,11,13-14H2,1-2H3,(H,24,28)