(5S)-5-tert-butyl-N-(3-methylsulfonylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide

Systemtic Name: (5S)-5-tert-butyl-N-(3-methylsulfonylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide Openeye Name: (5S)-5-tert-butyl-N-(3-methylsulfonylphenyl)-4,5,6,7-tetrahydrobenzothiophene-2-carboxamide CAS Name: (5S)-5-tert-butyl-N-(3-methylsulfonylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide IUPAC Name: (5S)-5-tert-butyl-N-(3-methylsulfonylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide Traditional Name: (5S)-5-tert-butyl-N-(3-mesylphenyl)-4,5,6,7-tetrahydrobenzothiophene-2-carboxamide Formula: C20H25NO3S2 MolecularWeight: 391.5474

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC2=C(C1)C=C(S2)C(=O)NC3=CC(=CC=C3)S(=O)(=O)C

Isomeric SMILES

CC(C)(C)[C@H]1CCC2=C(C1)C=C(S2)C(=O)NC3=CC(=CC=C3)S(=O)(=O)C

InChI

InChI=1S/C20H25NO3S2/c1-20(2,3)14-8-9-17-13(10-14)11-18(25-17)19(22)21-15-6-5-7-16(12-15)26(4,23)24/h5-7,11-12,14H,8-10H2,1-4H3,(H,21,22)/t14-/m0/s1