2-[[4-(8-azanyloct-2-ynoxy)phenyl]sulfonyl-methyl-amino]-5-bromanyl-3-methyl-N-oxidanyl-benzamide

Systemtic Name: 2-[[4-(8-azanyloct-2-ynoxy)phenyl]sulfonyl-methyl-amino]-5-bromanyl-3-methyl-N-oxidanyl-benzamide Openeye Name: 2-[[4-(8-aminooct-2-ynoxy)phenyl]sulfonyl-methyl-amino]-5-bromo-3-methyl-benzenecarbohydroxamic acid CAS Name: 2-[[4-(8-aminooct-2-ynoxy)phenyl]sulfonyl-methylamino]-5-bromo-N-hydroxy-3-methylbenzamide IUPAC Name: 2-[[4-(8-aminooct-2-ynoxy)phenyl]sulfonyl-methylamino]-5-bromo-N-hydroxy-3-methylbenzamide Traditional Name: 2-[[4-(8-aminooct-2-ynoxy)phenyl]sulfonyl-methyl-amino]-5-bromo-3-methyl-benzenecarbohydroxamic acid Formula: C23H28BrN3O5S MolecularWeight: 538.45452

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)Br)C(=O)NO)N(C)S(=O)(=O)C2=CC=C(C=C2)OCC#CCCCCCN

Isomeric SMILES

CC1=C(C(=CC(=C1)Br)C(=O)NO)N(C)S(=O)(=O)C2=CC=C(C=C2)OCC#CCCCCCN

InChI

InChI=1S/C23H28BrN3O5S/c1-17-15-18(24)16-21(23(28)26-29)22(17)27(2)33(30,31)20-11-9-19(10-12-20)32-14-8-6-4-3-5-7-13-25/h9-12,15-16,29H,3-5,7,13-14,25H2,1-2H3,(H,26,28)