methyl (6R)-2-[(4-bromophenyl)sulfonylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl (6R)-2-[(4-bromophenyl)sulfonylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl (6R)-2-[(4-bromophenyl)sulfonylamino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: (6R)-2-[(4-bromophenyl)sulfonylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl (6R)-2-[(4-bromophenyl)sulfonylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: (6R)-2-(brosylamino)-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C17H18BrNO4S2 MolecularWeight: 444.36312

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C(=O)OC)NS(=O)(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

C[C@@H]1CCC2=C(C1)SC(=C2C(=O)OC)NS(=O)(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C17H18BrNO4S2/c1-10-3-8-13-14(9-10)24-16(15(13)17(20)23-2)19-25(21,22)12-6-4-11(18)5-7-12/h4-7,10,19H,3,8-9H2,1-2H3/t10-/m1/s1