(3S)-5-tert-butyl-4-(4-but-2-ynoxyphenyl)sulfonyl-2,2-dimethyl-N-oxidanyl-thiomorpholine-3-carboxamide

Systemtic Name: (3S)-5-tert-butyl-4-(4-but-2-ynoxyphenyl)sulfonyl-2,2-dimethyl-N-oxidanyl-thiomorpholine-3-carboxamide Openeye Name: (3S)-5-tert-butyl-4-(4-but-2-ynoxyphenyl)sulfonyl-2,2-dimethyl-thiomorpholine-3-carbohydroxamic acid CAS Name: (3S)-5-tert-butyl-4-(4-but-2-ynoxyphenyl)sulfonyl-N-hydroxy-2,2-dimethyl-3-thiomorpholinecarboxamide IUPAC Name: (3S)-5-tert-butyl-4-(4-but-2-ynoxyphenyl)sulfonyl-N-hydroxy-2,2-dimethylthiomorpholine-3-carboxamide Traditional Name: (3S)-5-tert-butyl-4-(4-but-2-ynoxyphenyl)sulfonyl-2,2-dimethyl-thiomorpholine-3-carbohydroxamic acid Formula: C21H30N2O5S2 MolecularWeight: 454.6033

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=C(C=C1)S(=O)(=O)N2C(CSC(C2C(=O)NO)(C)C)C(C)(C)C

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)S(=O)(=O)N2[C@H](C(SCC2C(C)(C)C)(C)C)C(=O)NO

InChI

InChI=1S/C21H30N2O5S2/c1-7-8-13-28-15-9-11-16(12-10-15)30(26,27)23-17(20(2,3)4)14-29-21(5,6)18(23)19(24)22-25/h9-12,17-18,25H,13-14H2,1-6H3,(H,22,24)/t17?,18-/m0/s1