4-(4-but-2-ynoxyphenyl)sulfonyl-1-ethanoyl-8-(hydroxymethyl)-N-oxidanyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxamide

Systemtic Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-1-ethanoyl-8-(hydroxymethyl)-N-oxidanyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxamide Openeye Name: 1-acetyl-4-(4-but-2-ynoxyphenyl)sulfonyl-8-(hydroxymethyl)-3,5-dihydro-2H-1,4-benzodiazepine-3-carbohydroxamic acid CAS Name: 1-acetyl-4-(4-but-2-ynoxyphenyl)sulfonyl-N-hydroxy-8-(hydroxymethyl)-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxamide IUPAC Name: 1-acetyl-4-(4-but-2-ynoxyphenyl)sulfonyl-N-hydroxy-8-(hydroxymethyl)-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxamide Traditional Name: 1-acetyl-4-(4-but-2-ynoxyphenyl)sulfonyl-8-methylol-3,5-dihydro-2H-1,4-benzodiazepine-3-carbohydroxamic acid Formula: C23H25N3O7S MolecularWeight: 487.5255

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25N3O7S/c1-3-4-11-33-19-7-9-20(10-8-19)34(31,32)26-13-18-6-5-17(15-27)12-21(18)25(16(2)28)14-22(26)23(29)24-30/h5-10,12,22,27,30H,11,13-15H2,1-2H3,(H,24,29)