[3-(dimethylsulfamoyl)phenyl]methyl (6S)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: [3-(dimethylsulfamoyl)phenyl]methyl (6S)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: [3-(dimethylsulfamoyl)phenyl]methyl (6S)-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: (6S)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid [3-(dimethylsulfamoyl)phenyl]methyl ester IUPAC Name: [3-(dimethylsulfamoyl)phenyl]methyl (6S)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: (6S)-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid [3-(dimethylsulfamoyl)benzyl] ester Formula: C19H23NO4S2 MolecularWeight: 393.52022

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC=C2C(=O)OCC3=CC(=CC=C3)S(=O)(=O)N(C)C

Isomeric SMILES

C[C@H]1CCC2=C(C1)SC=C2C(=O)OCC3=CC(=CC=C3)S(=O)(=O)N(C)C

InChI

InChI=1S/C19H23NO4S2/c1-13-7-8-16-17(12-25-18(16)9-13)19(21)24-11-14-5-4-6-15(10-14)26(22,23)20(2)3/h4-6,10,12-13H,7-9,11H2,1-3H3/t13-/m0/s1