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

Systemtic Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-1-methylsulfonyl-N-oxidanyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxamide Openeye Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-1-methylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carbohydroxamic acid CAS Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-N-hydroxy-1-methylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxamide IUPAC Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-N-hydroxy-1-methylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxamide Traditional Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-1-mesyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carbohydroxamic acid Formula: C21H23N3O7S2 MolecularWeight: 493.55322

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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)S(=O)(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O7S2/c1-3-4-13-31-17-9-11-18(12-10-17)33(29,30)24-14-16-7-5-6-8-19(16)23(32(2,27)28)15-20(24)21(25)22-26/h5-12,20,26H,13-15H2,1-2H3,(H,22,25)