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

Systemtic Name: methyl 2,2-dimethyl-4-[4-(4-phenylmethoxybut-2-ynoxy)phenyl]sulfonyl-thiomorpholine-3-carboxylate Openeye Name: methyl 4-[4-(4-benzyloxybut-2-ynoxy)phenyl]sulfonyl-2,2-dimethyl-thiomorpholine-3-carboxylate CAS Name: 2,2-dimethyl-4-[4-(4-phenylmethoxybut-2-ynoxy)phenyl]sulfonyl-3-thiomorpholinecarboxylic acid methyl ester IUPAC Name: methyl 2,2-dimethyl-4-[4-(4-phenylmethoxybut-2-ynoxy)phenyl]sulfonylthiomorpholine-3-carboxylate Traditional Name: 4-[4-(4-benzoxybut-2-ynoxy)phenyl]sulfonyl-2,2-dimethyl-thiomorpholine-3-carboxylic acid methyl ester Formula: C25H29NO6S2 MolecularWeight: 503.63086

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N(CCS1)S(=O)(=O)C2=CC=C(C=C2)OCC#CCOCC3=CC=CC=C3)C(=O)OC)C

Isomeric SMILES

CC1(C(N(CCS1)S(=O)(=O)C2=CC=C(C=C2)OCC#CCOCC3=CC=CC=C3)C(=O)OC)C

InChI

InChI=1S/C25H29NO6S2/c1-25(2)23(24(27)30-3)26(15-18-33-25)34(28,29)22-13-11-21(12-14-22)32-17-8-7-16-31-19-20-9-5-4-6-10-20/h4-6,9-14,23H,15-19H2,1-3H3