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

Systemtic Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-1-ethanoyl-N-oxidanyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxamide Openeye Name: 1-acetyl-4-(4-but-2-ynoxyphenyl)sulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carbohydroxamic acid CAS Name: 1-acetyl-4-(4-but-2-ynoxyphenyl)sulfonyl-N-hydroxy-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxamide IUPAC Name: 1-acetyl-4-(4-but-2-ynoxyphenyl)sulfonyl-N-hydroxy-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxamide Traditional Name: 1-acetyl-4-(4-but-2-ynoxyphenyl)sulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carbohydroxamic acid Formula: C22H23N3O6S MolecularWeight: 457.49952

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3N(CC2C(=O)NO)C(=O)C

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3N(CC2C(=O)NO)C(=O)C

InChI

InChI=1S/C22H23N3O6S/c1-3-4-13-31-18-9-11-19(12-10-18)32(29,30)25-14-17-7-5-6-8-20(17)24(16(2)26)15-21(25)22(27)23-28/h5-12,21,28H,13-15H2,1-2H3,(H,23,27)