2-[(4-but-2-ynoxyphenyl)sulfonyl-methyl-amino]-3-methyl-3-(2-morpholin-4-ylethylsulfanyl)-N-oxidanyl-butanamide

Systemtic Name: 2-[(4-but-2-ynoxyphenyl)sulfonyl-methyl-amino]-3-methyl-3-(2-morpholin-4-ylethylsulfanyl)-N-oxidanyl-butanamide Openeye Name: 2-[(4-but-2-ynoxyphenyl)sulfonyl-methyl-amino]-3-methyl-3-(2-morpholinoethylsulfanyl)butanehydroxamic acid CAS Name: 2-[(4-but-2-ynoxyphenyl)sulfonyl-methylamino]-N-hydroxy-3-methyl-3-[2-(4-morpholinyl)ethylthio]butanamide IUPAC Name: 2-[(4-but-2-ynoxyphenyl)sulfonyl-methylamino]-N-hydroxy-3-methyl-3-(2-morpholin-4-ylethylsulfanyl)butanamide Traditional Name: 2-[(4-but-2-ynoxyphenyl)sulfonyl-methyl-amino]-3-methyl-3-(2-morpholinoethylthio)butanehydroxamic acid Formula: C22H33N3O6S2 MolecularWeight: 499.64392

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=C(C=C1)S(=O)(=O)N(C)C(C(=O)NO)C(C)(C)SCCN2CCOCC2

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)S(=O)(=O)N(C)C(C(=O)NO)C(C)(C)SCCN2CCOCC2

InChI

InChI=1S/C22H33N3O6S2/c1-5-6-14-31-18-7-9-19(10-8-18)33(28,29)24(4)20(21(26)23-27)22(2,3)32-17-13-25-11-15-30-16-12-25/h7-10,20,27H,11-17H2,1-4H3,(H,23,26)