3-(4-but-2-ynoxyphenyl)-N-oxidanyl-1-(pyridin-3-ylmethylamino)-2-sulfonyl-cyclohexane-1-carboxamide

Systemtic Name: 3-(4-but-2-ynoxyphenyl)-N-oxidanyl-1-(pyridin-3-ylmethylamino)-2-sulfonyl-cyclohexane-1-carboxamide Openeye Name: 3-(4-but-2-ynoxyphenyl)-1-(3-pyridylmethylamino)-2-sulfonyl-cyclohexanecarbohydroxamic acid CAS Name: 3-(4-but-2-ynoxyphenyl)-N-hydroxy-1-(3-pyridinylmethylamino)-2-sulfonyl-1-cyclohexanecarboxamide IUPAC Name: 3-(4-but-2-ynoxyphenyl)-N-hydroxy-1-(pyridin-3-ylmethylamino)-2-sulfonylcyclohexane-1-carboxamide Traditional Name: 3-(4-but-2-ynoxyphenyl)-1-(3-pyridylmethylamino)-2-sulfonyl-cyclohexanecarbohydroxamic acid Formula: C23H25N3O5S MolecularWeight: 455.5267

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=C(C=C1)C2CCCC(C2=S(=O)=O)(C(=O)NO)NCC3=CN=CC=C3

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)C2CCCC(C2=S(=O)=O)(C(=O)NO)NCC3=CN=CC=C3

InChI

InChI=1S/C23H25N3O5S/c1-2-3-14-31-19-10-8-18(9-11-19)20-7-4-12-23(22(27)26-28,21(20)32(29)30)25-16-17-6-5-13-24-15-17/h5-6,8-11,13,15,20,25,28H,4,7,12,14,16H2,1H3,(H,26,27)