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

Systemtic Name: tert-butyl 2-[(4-but-2-ynoxyphenyl)sulfonylamino]-3-(2-hydroxyethylsulfanyl)-3-methyl-butanoate Openeye Name: tert-butyl 2-[(4-but-2-ynoxyphenyl)sulfonylamino]-3-(2-hydroxyethylsulfanyl)-3-methyl-butanoate CAS Name: 2-[(4-but-2-ynoxyphenyl)sulfonylamino]-3-(2-hydroxyethylthio)-3-methylbutanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[(4-but-2-ynoxyphenyl)sulfonylamino]-3-(2-hydroxyethylsulfanyl)-3-methylbutanoate Traditional Name: 2-[(4-but-2-ynoxyphenyl)sulfonylamino]-3-(2-hydroxyethylthio)-3-methyl-butyric acid tert-butyl ester Formula: C21H31NO6S2 MolecularWeight: 457.60394

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H31NO6S2/c1-7-8-14-27-16-9-11-17(12-10-16)30(25,26)22-18(19(24)28-20(2,3)4)21(5,6)29-15-13-23/h9-12,18,22-23H,13-15H2,1-6H3