(3-morpholin-4-ylsulfonylphenyl)methyl 6-methyl-2,3-dihydro-1-benzothiophene-2-carboxylate

Systemtic Name: (3-morpholin-4-ylsulfonylphenyl)methyl 6-methyl-2,3-dihydro-1-benzothiophene-2-carboxylate Openeye Name: (3-morpholinosulfonylphenyl)methyl 6-methyl-2,3-dihydrobenzothiophene-2-carboxylate CAS Name: 6-methyl-2,3-dihydro-1-benzothiophene-2-carboxylic acid [3-(4-morpholinylsulfonyl)phenyl]methyl ester IUPAC Name: (3-morpholin-4-ylsulfonylphenyl)methyl 6-methyl-2,3-dihydro-1-benzothiophene-2-carboxylate Traditional Name: 6-methyl-2,3-dihydrobenzothiophene-2-carboxylic acid (3-morpholinosulfonylbenzyl) ester Formula: C21H23NO5S2 MolecularWeight: 433.54102

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(CC(S2)C(=O)OCC3=CC(=CC=C3)S(=O)(=O)N4CCOCC4)C=C1

Isomeric SMILES

CC1=CC2=C(CC(S2)C(=O)OCC3=CC(=CC=C3)S(=O)(=O)N4CCOCC4)C=C1

InChI

InChI=1S/C21H23NO5S2/c1-15-5-6-17-13-20(28-19(17)11-15)21(23)27-14-16-3-2-4-18(12-16)29(24,25)22-7-9-26-10-8-22/h2-6,11-12,20H,7-10,13-14H2,1H3