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

Systemtic Name: methyl (6R)-2-[(4-acetamidophenyl)sulfonylamino]-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl (6R)-2-[(4-acetamidophenyl)sulfonylamino]-6-tert-butyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: (6R)-2-[(4-acetamidophenyl)sulfonylamino]-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl (6R)-2-[(4-acetamidophenyl)sulfonylamino]-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: (6R)-2-[(4-acetamidophenyl)sulfonylamino]-6-tert-butyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C22H28N2O5S2 MolecularWeight: 464.59812

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=C(C3=C(S2)CC(CC3)C(C)(C)C)C(=O)OC

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=C(C3=C(S2)C[C@@H](CC3)C(C)(C)C)C(=O)OC

InChI

InChI=1S/C22H28N2O5S2/c1-13(25)23-15-7-9-16(10-8-15)31(27,28)24-20-19(21(26)29-5)17-11-6-14(22(2,3)4)12-18(17)30-20/h7-10,14,24H,6,11-12H2,1-5H3,(H,23,25)/t14-/m1/s1