methyl 4-[4-(5-azidopent-2-ynoxy)phenyl]sulfonyl-2,2-dimethyl-thiomorpholine-3-carboxylate

Systemtic Name: methyl 4-[4-(5-azidopent-2-ynoxy)phenyl]sulfonyl-2,2-dimethyl-thiomorpholine-3-carboxylate Openeye Name: methyl 4-[4-(5-azidopent-2-ynoxy)phenyl]sulfonyl-2,2-dimethyl-thiomorpholine-3-carboxylate CAS Name: 4-[4-(5-azidopent-2-ynoxy)phenyl]sulfonyl-2,2-dimethyl-3-thiomorpholinecarboxylic acid methyl ester IUPAC Name: methyl 4-[4-(5-azidopent-2-ynoxy)phenyl]sulfonyl-2,2-dimethylthiomorpholine-3-carboxylate Traditional Name: 4-[4-(5-azidopent-2-ynoxy)phenyl]sulfonyl-2,2-dimethyl-thiomorpholine-3-carboxylic acid methyl ester Formula: C19H24N4O5S2 MolecularWeight: 452.54766

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24N4O5S2/c1-19(2)17(18(24)27-3)23(12-14-29-19)30(25,26)16-9-7-15(8-10-16)28-13-6-4-5-11-21-22-20/h7-10,17H,5,11-14H2,1-3H3