(3-morpholin-4-ylsulfonylphenyl)methyl 3-phenylthiophene-2-carboxylate

Systemtic Name: (3-morpholin-4-ylsulfonylphenyl)methyl 3-phenylthiophene-2-carboxylate Openeye Name: (3-morpholinosulfonylphenyl)methyl 3-phenylthiophene-2-carboxylate CAS Name: 3-phenyl-2-thiophenecarboxylic acid [3-(4-morpholinylsulfonyl)phenyl]methyl ester IUPAC Name: (3-morpholin-4-ylsulfonylphenyl)methyl 3-phenylthiophene-2-carboxylate Traditional Name: 3-phenylthiophene-2-carboxylic acid (3-morpholinosulfonylbenzyl) ester Formula: C22H21NO5S2 MolecularWeight: 443.53584

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=CC(=C2)COC(=O)C3=C(C=CS3)C4=CC=CC=C4

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=CC(=C2)COC(=O)C3=C(C=CS3)C4=CC=CC=C4

InChI

InChI=1S/C22H21NO5S2/c24-22(21-20(9-14-29-21)18-6-2-1-3-7-18)28-16-17-5-4-8-19(15-17)30(25,26)23-10-12-27-13-11-23/h1-9,14-15H,10-13,16H2