N-(4-bromanyl-3-methyl-1,2-oxazol-5-yl)-2-[(4-ethylphenyl)methyl]-1-benzothiophene-3-sulfonamide

Systemtic Name: N-(4-bromanyl-3-methyl-1,2-oxazol-5-yl)-2-[(4-ethylphenyl)methyl]-1-benzothiophene-3-sulfonamide Openeye Name: N-(4-bromo-3-methyl-isoxazol-5-yl)-2-[(4-ethylphenyl)methyl]benzothiophene-3-sulfonamide CAS Name: N-(4-bromo-3-methyl-5-isoxazolyl)-2-[(4-ethylphenyl)methyl]-1-benzothiophene-3-sulfonamide IUPAC Name: N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-2-[(4-ethylphenyl)methyl]-1-benzothiophene-3-sulfonamide Traditional Name: N-(4-bromo-3-methyl-isoxazol-5-yl)-2-(4-ethylbenzyl)benzothiophene-3-sulfonamide Formula: C21H19BrN2O3S2 MolecularWeight: 491.42116

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CC2=C(C3=CC=CC=C3S2)S(=O)(=O)NC4=C(C(=NO4)C)Br

Isomeric SMILES

CCC1=CC=C(C=C1)CC2=C(C3=CC=CC=C3S2)S(=O)(=O)NC4=C(C(=NO4)C)Br

InChI

InChI=1S/C21H19BrN2O3S2/c1-3-14-8-10-15(11-9-14)12-18-20(16-6-4-5-7-17(16)28-18)29(25,26)24-21-19(22)13(2)23-27-21/h4-11,24H,3,12H2,1-2H3