5-tert-butyl-N-[3-(methylsulfonylamino)phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide

Systemtic Name: 5-tert-butyl-N-[3-(methylsulfonylamino)phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide Openeye Name: 5-tert-butyl-N-[3-(methanesulfonamido)phenyl]-4,5,6,7-tetrahydrobenzothiophene-2-carboxamide CAS Name: 5-tert-butyl-N-[3-(methanesulfonamido)phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide IUPAC Name: 5-tert-butyl-N-[3-(methanesulfonamido)phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide Traditional Name: 5-tert-butyl-N-[3-(methanesulfonamido)phenyl]-4,5,6,7-tetrahydrobenzothiophene-2-carboxamide Formula: C20H26N2O3S2 MolecularWeight: 406.56204

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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)NS(=O)(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C20H26N2O3S2/c1-20(2,3)14-8-9-17-13(10-14)11-18(26-17)19(23)21-15-6-5-7-16(12-15)22-27(4,24)25/h5-7,11-12,14,22H,8-10H2,1-4H3,(H,21,23)