(3S)-4-[4-(4-azidobut-2-ynoxy)phenyl]sulfonyl-2,2-dimethyl-thiomorpholine-3-carboxylic acid

Systemtic Name: (3S)-4-[4-(4-azidobut-2-ynoxy)phenyl]sulfonyl-2,2-dimethyl-thiomorpholine-3-carboxylic acid Openeye Name: (3S)-4-[4-(4-azidobut-2-ynoxy)phenyl]sulfonyl-2,2-dimethyl-thiomorpholine-3-carboxylic acid CAS Name: (3S)-4-[4-(4-azidobut-2-ynoxy)phenyl]sulfonyl-2,2-dimethyl-3-thiomorpholinecarboxylic acid IUPAC Name: (3S)-4-[4-(4-azidobut-2-ynoxy)phenyl]sulfonyl-2,2-dimethylthiomorpholine-3-carboxylic acid Traditional Name: (3S)-4-[4-(4-azidobut-2-ynoxy)phenyl]sulfonyl-2,2-dimethyl-thiomorpholine-3-carboxylic acid Formula: C17H20N4O5S2 MolecularWeight: 424.4945

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N(CCS1)S(=O)(=O)C2=CC=C(C=C2)OCC#CCN=[N+]=[N-])C(=O)O)C

Isomeric SMILES

CC1([C@@H](N(CCS1)S(=O)(=O)C2=CC=C(C=C2)OCC#CCN=[N+]=[N-])C(=O)O)C

InChI

InChI=1S/C17H20N4O5S2/c1-17(2)15(16(22)23)21(10-12-27-17)28(24,25)14-7-5-13(6-8-14)26-11-4-3-9-19-20-18/h5-8,15H,9-12H2,1-2H3,(H,22,23)/t15-/m0/s1