2-[(4-but-2-ynoxyphenyl)sulfonyl-methyl-amino]-3-(2-imidazol-1-ylethylsulfanyl)-3-methyl-N-oxidanyl-butanamide

Systemtic Name: 2-[(4-but-2-ynoxyphenyl)sulfonyl-methyl-amino]-3-(2-imidazol-1-ylethylsulfanyl)-3-methyl-N-oxidanyl-butanamide Openeye Name: 2-[(4-but-2-ynoxyphenyl)sulfonyl-methyl-amino]-3-(2-imidazol-1-ylethylsulfanyl)-3-methyl-butanehydroxamic acid CAS Name: 2-[(4-but-2-ynoxyphenyl)sulfonyl-methylamino]-N-hydroxy-3-[2-(1-imidazolyl)ethylthio]-3-methylbutanamide IUPAC Name: 2-[(4-but-2-ynoxyphenyl)sulfonyl-methylamino]-N-hydroxy-3-(2-imidazol-1-ylethylsulfanyl)-3-methylbutanamide Traditional Name: 2-[(4-but-2-ynoxyphenyl)sulfonyl-methyl-amino]-3-(2-imidazol-1-ylethylthio)-3-methyl-butanehydroxamic acid Formula: C21H28N4O5S2 MolecularWeight: 480.60082

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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)SCCN2C=CN=C2

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)S(=O)(=O)N(C)C(C(=O)NO)C(C)(C)SCCN2C=CN=C2

InChI

InChI=1S/C21H28N4O5S2/c1-5-6-14-30-17-7-9-18(10-8-17)32(28,29)24(4)19(20(26)23-27)21(2,3)31-15-13-25-12-11-22-16-25/h7-12,16,19,27H,13-15H2,1-4H3,(H,23,26)