[4-(4-but-2-ynoxyphenyl)sulfonyl-6,6-dimethyl-5-(oxidanylcarbamoyl)thiomorpholin-2-yl]methylcarbamic acid

Systemtic Name: [4-(4-but-2-ynoxyphenyl)sulfonyl-6,6-dimethyl-5-(oxidanylcarbamoyl)thiomorpholin-2-yl]methylcarbamic acid Openeye Name: [4-(4-but-2-ynoxyphenyl)sulfonyl-5-(hydroxycarbamoyl)-6,6-dimethyl-thiomorpholin-2-yl]methylcarbamic acid CAS Name: [4-(4-but-2-ynoxyphenyl)sulfonyl-5-[(hydroxyamino)-oxomethyl]-6,6-dimethyl-2-thiomorpholinyl]methylcarbamic acid IUPAC Name: [4-(4-but-2-ynoxyphenyl)sulfonyl-5-(hydroxycarbamoyl)-6,6-dimethylthiomorpholin-2-yl]methylcarbamic acid Traditional Name: [4-(4-but-2-ynoxyphenyl)sulfonyl-5-(hydroxycarbamoyl)-6,6-dimethyl-thiomorpholin-2-yl]methylcarbamic acid Formula: C19H25N3O7S2 MolecularWeight: 471.5477

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25N3O7S2/c1-4-5-10-29-13-6-8-15(9-7-13)31(27,28)22-12-14(11-20-18(24)25)30-19(2,3)16(22)17(23)21-26/h6-9,14,16,20,26H,10-12H2,1-3H3,(H,21,23)(H,24,25)