tert-butyl 2-[(4-but-2-ynoxyphenyl)sulfonylmethylamino]-3-(2-hydroxyethylsulfanyl)-3-methyl-butanoate

Systemtic Name: tert-butyl 2-[(4-but-2-ynoxyphenyl)sulfonylmethylamino]-3-(2-hydroxyethylsulfanyl)-3-methyl-butanoate Openeye Name: tert-butyl 2-[(4-but-2-ynoxyphenyl)sulfonylmethylamino]-3-(2-hydroxyethylsulfanyl)-3-methyl-butanoate CAS Name: 2-[(4-but-2-ynoxyphenyl)sulfonylmethylamino]-3-(2-hydroxyethylthio)-3-methylbutanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[(4-but-2-ynoxyphenyl)sulfonylmethylamino]-3-(2-hydroxyethylsulfanyl)-3-methylbutanoate Traditional Name: 2-[(4-but-2-ynoxyphenyl)sulfonylmethylamino]-3-(2-hydroxyethylthio)-3-methyl-butyric acid tert-butyl ester Formula: C22H33NO6S2 MolecularWeight: 471.63052

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=C(C=C1)S(=O)(=O)CNC(C(=O)OC(C)(C)C)C(C)(C)SCCO

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)S(=O)(=O)CNC(C(=O)OC(C)(C)C)C(C)(C)SCCO

InChI

InChI=1S/C22H33NO6S2/c1-7-8-14-28-17-9-11-18(12-10-17)31(26,27)16-23-19(20(25)29-21(2,3)4)22(5,6)30-15-13-24/h9-12,19,23-24H,13-16H2,1-6H3