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

Systemtic Name: (3S)-4-[2-(4-azidobut-2-ynoxy)phenyl]sulfonyl-2,2-dimethyl-thiomorpholine-3-carboxylate Openeye Name: (3S)-4-[2-(4-azidobut-2-ynoxy)phenyl]sulfonyl-2,2-dimethyl-thiomorpholine-3-carboxylate CAS Name: (3S)-4-[2-(4-azidobut-2-ynoxy)phenyl]sulfonyl-2,2-dimethyl-3-thiomorpholinecarboxylate IUPAC Name: (3S)-4-[2-(4-azidobut-2-ynoxy)phenyl]sulfonyl-2,2-dimethylthiomorpholine-3-carboxylate Traditional Name: (3S)-4-[2-(4-azidobut-2-ynoxy)phenyl]sulfonyl-2,2-dimethyl-thiomorpholine-3-carboxylate Formula: C17H19N4O5S2- MolecularWeight: 423.48656

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N(CCS1)S(=O)(=O)C2=CC=CC=C2OCC#CCN=[N+]=[N-])C(=O)[O-])C

Isomeric SMILES

CC1([C@@H](N(CCS1)S(=O)(=O)C2=CC=CC=C2OCC#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)14-8-4-3-7-13(14)26-11-6-5-9-19-20-18/h3-4,7-8,15H,9-12H2,1-2H3,(H,22,23)/p-1/t15-/m0/s1