(4-morpholin-4-ylsulfonylphenyl) 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate

Systemtic Name: (4-morpholin-4-ylsulfonylphenyl) 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Openeye Name: (4-morpholinosulfonylphenyl) 4,5,6,7-tetrahydrobenzothiophene-2-carboxylate CAS Name: 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid [4-(4-morpholinylsulfonyl)phenyl] ester IUPAC Name: (4-morpholin-4-ylsulfonylphenyl) 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Traditional Name: 4,5,6,7-tetrahydrobenzothiophene-2-carboxylic acid (4-morpholinosulfonylphenyl) ester Formula: C19H21NO5S2 MolecularWeight: 407.50374

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C=C(S2)C(=O)OC3=CC=C(C=C3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

C1CCC2=C(C1)C=C(S2)C(=O)OC3=CC=C(C=C3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C19H21NO5S2/c21-19(18-13-14-3-1-2-4-17(14)26-18)25-15-5-7-16(8-6-15)27(22,23)20-9-11-24-12-10-20/h5-8,13H,1-4,9-12H2