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

Systemtic Name: 5-[(4-bromophenyl)sulfonyl-ethyl-amino]-N-(oxolan-2-ylmethyl)-1-benzothiophene-2-carboxamide Openeye Name: 5-[(4-bromophenyl)sulfonyl-ethyl-amino]-N-(tetrahydrofuran-2-ylmethyl)benzothiophene-2-carboxamide CAS Name: 5-[(4-bromophenyl)sulfonyl-ethylamino]-N-(2-oxolanylmethyl)-1-benzothiophene-2-carboxamide IUPAC Name: 5-[(4-bromophenyl)sulfonyl-ethylamino]-N-(oxolan-2-ylmethyl)-1-benzothiophene-2-carboxamide Traditional Name: 5-[brosyl(ethyl)amino]-N-(tetrahydrofurfuryl)benzothiophene-2-carboxamide Formula: C22H23BrN2O4S2 MolecularWeight: 523.46302

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC2=C(C=C1)SC(=C2)C(=O)NCC3CCCO3)S(=O)(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

CCN(C1=CC2=C(C=C1)SC(=C2)C(=O)NCC3CCCO3)S(=O)(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C22H23BrN2O4S2/c1-2-25(31(27,28)19-8-5-16(23)6-9-19)17-7-10-20-15(12-17)13-21(30-20)22(26)24-14-18-4-3-11-29-18/h5-10,12-13,18H,2-4,11,14H2,1H3,(H,24,26)