5-[(4-bromophenyl)sulfonyl-ethyl-amino]-N-(3-ethoxypropyl)-1-benzothiophene-2-carboxamide

Systemtic Name: 5-[(4-bromophenyl)sulfonyl-ethyl-amino]-N-(3-ethoxypropyl)-1-benzothiophene-2-carboxamide Openeye Name: 5-[(4-bromophenyl)sulfonyl-ethyl-amino]-N-(3-ethoxypropyl)benzothiophene-2-carboxamide CAS Name: 5-[(4-bromophenyl)sulfonyl-ethylamino]-N-(3-ethoxypropyl)-1-benzothiophene-2-carboxamide IUPAC Name: 5-[(4-bromophenyl)sulfonyl-ethylamino]-N-(3-ethoxypropyl)-1-benzothiophene-2-carboxamide Traditional Name: 5-[brosyl(ethyl)amino]-N-(3-ethoxypropyl)benzothiophene-2-carboxamide Formula: C22H25BrN2O4S2 MolecularWeight: 525.4789

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25BrN2O4S2/c1-3-25(31(27,28)19-9-6-17(23)7-10-19)18-8-11-20-16(14-18)15-21(30-20)22(26)24-12-5-13-29-4-2/h6-11,14-15H,3-5,12-13H2,1-2H3,(H,24,26)