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

Systemtic Name: 5-[(4-bromophenyl)sulfonyl-methyl-amino]-N-(oxolan-2-ylmethyl)-1-benzothiophene-2-carboxamide Openeye Name: 5-[(4-bromophenyl)sulfonyl-methyl-amino]-N-(tetrahydrofuran-2-ylmethyl)benzothiophene-2-carboxamide CAS Name: 5-[(4-bromophenyl)sulfonyl-methylamino]-N-(2-oxolanylmethyl)-1-benzothiophene-2-carboxamide IUPAC Name: 5-[(4-bromophenyl)sulfonyl-methylamino]-N-(oxolan-2-ylmethyl)-1-benzothiophene-2-carboxamide Traditional Name: 5-[brosyl(methyl)amino]-N-(tetrahydrofurfuryl)benzothiophene-2-carboxamide Formula: C21H21BrN2O4S2 MolecularWeight: 509.43644

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21BrN2O4S2/c1-24(30(26,27)18-7-4-15(22)5-8-18)16-6-9-19-14(11-16)12-20(29-19)21(25)23-13-17-3-2-10-28-17/h4-9,11-12,17H,2-3,10,13H2,1H3,(H,23,25)