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

Systemtic Name: 5-[(4-bromophenyl)sulfonyl-ethyl-amino]-N-(3-methylbutyl)-1-benzothiophene-2-carboxamide Openeye Name: 5-[(4-bromophenyl)sulfonyl-ethyl-amino]-N-isopentyl-benzothiophene-2-carboxamide CAS Name: 5-[(4-bromophenyl)sulfonyl-ethylamino]-N-(3-methylbutyl)-1-benzothiophene-2-carboxamide IUPAC Name: 5-[(4-bromophenyl)sulfonyl-ethylamino]-N-(3-methylbutyl)-1-benzothiophene-2-carboxamide Traditional Name: 5-[brosyl(ethyl)amino]-N-isoamyl-benzothiophene-2-carboxamide Formula: C22H25BrN2O3S2 MolecularWeight: 509.4795

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25BrN2O3S2/c1-4-25(30(27,28)19-8-5-17(23)6-9-19)18-7-10-20-16(13-18)14-21(29-20)22(26)24-12-11-15(2)3/h5-10,13-15H,4,11-12H2,1-3H3,(H,24,26)