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

Systemtic Name: N-(4-bromanyl-3-methyl-1,2-oxazol-5-yl)-2-[(3,4-dimethoxyphenyl)methyl]-1-benzothiophene-3-sulfonamide Openeye Name: N-(4-bromo-3-methyl-isoxazol-5-yl)-2-[(3,4-dimethoxyphenyl)methyl]benzothiophene-3-sulfonamide CAS Name: N-(4-bromo-3-methyl-5-isoxazolyl)-2-[(3,4-dimethoxyphenyl)methyl]-1-benzothiophene-3-sulfonamide IUPAC Name: N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-2-[(3,4-dimethoxyphenyl)methyl]-1-benzothiophene-3-sulfonamide Traditional Name: N-(4-bromo-3-methyl-isoxazol-5-yl)-2-veratryl-benzothiophene-3-sulfonamide Formula: C21H19BrN2O5S2 MolecularWeight: 523.41996

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1Br)NS(=O)(=O)C2=C(SC3=CC=CC=C32)CC4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CC1=NOC(=C1Br)NS(=O)(=O)C2=C(SC3=CC=CC=C32)CC4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C21H19BrN2O5S2/c1-12-19(22)21(29-23-12)24-31(25,26)20-14-6-4-5-7-17(14)30-18(20)11-13-8-9-15(27-2)16(10-13)28-3/h4-10,24H,11H2,1-3H3