(3S,6S)-6-(2-azanyl-2-oxidanylidene-ethyl)-4-(4-but-2-ynoxyphenyl)sulfonyl-2,2-dimethyl-N-oxidanyl-thiomorpholine-3-carboxamide

Systemtic Name: (3S,6S)-6-(2-azanyl-2-oxidanylidene-ethyl)-4-(4-but-2-ynoxyphenyl)sulfonyl-2,2-dimethyl-N-oxidanyl-thiomorpholine-3-carboxamide Openeye Name: 2-[(2S,5S)-4-(4-but-2-ynoxyphenyl)sulfonyl-5-(hydroxycarbamoyl)-6,6-dimethyl-thiomorpholin-2-yl]acetamide CAS Name: (3S,6S)-6-(2-amino-2-oxoethyl)-4-(4-but-2-ynoxyphenyl)sulfonyl-N-hydroxy-2,2-dimethyl-3-thiomorpholinecarboxamide IUPAC Name: (3S,6S)-6-(2-amino-2-oxoethyl)-4-(4-but-2-ynoxyphenyl)sulfonyl-N-hydroxy-2,2-dimethylthiomorpholine-3-carboxamide Traditional Name: 2-[(2S,5S)-4-(4-but-2-ynoxyphenyl)sulfonyl-5-(hydroxycarbamoyl)-6,6-dimethyl-thiomorpholin-2-yl]acetamide Formula: C19H25N3O6S2 MolecularWeight: 455.5483

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=C(C=C1)S(=O)(=O)N2CC(SC(C2C(=O)NO)(C)C)CC(=O)N

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)S(=O)(=O)N2C[C@@H](SC([C@@H]2C(=O)NO)(C)C)CC(=O)N

InChI

InChI=1S/C19H25N3O6S2/c1-4-5-10-28-13-6-8-15(9-7-13)30(26,27)22-12-14(11-16(20)23)29-19(2,3)17(22)18(24)21-25/h6-9,14,17,25H,10-12H2,1-3H3,(H2,20,23)(H,21,24)/t14-,17-/m0/s1