5-[(4-bromophenyl)sulfonyl-ethyl-amino]-N-tert-butyl-1-benzothiophene-2-carboxamide

Systemtic Name: 5-[(4-bromophenyl)sulfonyl-ethyl-amino]-N-tert-butyl-1-benzothiophene-2-carboxamide Openeye Name: 5-[(4-bromophenyl)sulfonyl-ethyl-amino]-N-tert-butyl-benzothiophene-2-carboxamide CAS Name: 5-[(4-bromophenyl)sulfonyl-ethylamino]-N-tert-butyl-1-benzothiophene-2-carboxamide IUPAC Name: 5-[(4-bromophenyl)sulfonyl-ethylamino]-N-tert-butyl-1-benzothiophene-2-carboxamide Traditional Name: 5-[brosyl(ethyl)amino]-N-tert-butyl-benzothiophene-2-carboxamide Formula: C21H23BrN2O3S2 MolecularWeight: 495.45292

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC2=C(C=C1)SC(=C2)C(=O)NC(C)(C)C)S(=O)(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

CCN(C1=CC2=C(C=C1)SC(=C2)C(=O)NC(C)(C)C)S(=O)(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C21H23BrN2O3S2/c1-5-24(29(26,27)17-9-6-15(22)7-10-17)16-8-11-18-14(12-16)13-19(28-18)20(25)23-21(2,3)4/h6-13H,5H2,1-4H3,(H,23,25)