(6S)-2-[(4-acetamidophenyl)sulfonylamino]-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: (6S)-2-[(4-acetamidophenyl)sulfonylamino]-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: (6S)-2-[(4-acetamidophenyl)sulfonylamino]-6-tert-butyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: (6S)-2-[(4-acetamidophenyl)sulfonylamino]-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: (6S)-2-[(4-acetamidophenyl)sulfonylamino]-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: (6S)-2-[(4-acetamidophenyl)sulfonylamino]-6-tert-butyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C21H27N3O4S2 MolecularWeight: 449.58678

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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)N

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)N

InChI

InChI=1S/C21H27N3O4S2/c1-12(25)23-14-6-8-15(9-7-14)30(27,28)24-20-18(19(22)26)16-10-5-13(21(2,3)4)11-17(16)29-20/h6-9,13,24H,5,10-11H2,1-4H3,(H2,22,26)(H,23,25)/t13-/m0/s1