tert-butyl N-[[4-(4-but-2-ynoxyphenyl)sulfonyl-6,6-dimethyl-5-(oxidanylcarbamoyl)thiomorpholin-2-yl]methyl]carbamate

Systemtic Name: tert-butyl N-[[4-(4-but-2-ynoxyphenyl)sulfonyl-6,6-dimethyl-5-(oxidanylcarbamoyl)thiomorpholin-2-yl]methyl]carbamate Openeye Name: tert-butyl N-[[4-(4-but-2-ynoxyphenyl)sulfonyl-5-(hydroxycarbamoyl)-6,6-dimethyl-thiomorpholin-2-yl]methyl]carbamate CAS Name: N-[[4-(4-but-2-ynoxyphenyl)sulfonyl-5-[(hydroxyamino)-oxomethyl]-6,6-dimethyl-2-thiomorpholinyl]methyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[[4-(4-but-2-ynoxyphenyl)sulfonyl-5-(hydroxycarbamoyl)-6,6-dimethylthiomorpholin-2-yl]methyl]carbamate Traditional Name: N-[[4-(4-but-2-ynoxyphenyl)sulfonyl-5-(hydroxycarbamoyl)-6,6-dimethyl-thiomorpholin-2-yl]methyl]carbamic acid tert-butyl ester Formula: C23H33N3O7S2 MolecularWeight: 527.65402

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=C(C=C1)S(=O)(=O)N2CC(SC(C2C(=O)NO)(C)C)CNC(=O)OC(C)(C)C

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)S(=O)(=O)N2CC(SC(C2C(=O)NO)(C)C)CNC(=O)OC(C)(C)C

InChI

InChI=1S/C23H33N3O7S2/c1-7-8-13-32-16-9-11-18(12-10-16)35(30,31)26-15-17(14-24-21(28)33-22(2,3)4)34-23(5,6)19(26)20(27)25-29/h9-12,17,19,29H,13-15H2,1-6H3,(H,24,28)(H,25,27)