2-(1,3-benzodioxol-5-ylmethyl)-N-(4-chloranyl-3-methyl-1,2-oxazol-5-yl)-5-(dimethylamino)-1-benzothiophene-3-sulfonamide

Systemtic Name: 2-(1,3-benzodioxol-5-ylmethyl)-N-(4-chloranyl-3-methyl-1,2-oxazol-5-yl)-5-(dimethylamino)-1-benzothiophene-3-sulfonamide Openeye Name: 2-(1,3-benzodioxol-5-ylmethyl)-N-(4-chloro-3-methyl-isoxazol-5-yl)-5-(dimethylamino)benzothiophene-3-sulfonamide CAS Name: 2-(1,3-benzodioxol-5-ylmethyl)-N-(4-chloro-3-methyl-5-isoxazolyl)-5-(dimethylamino)-1-benzothiophene-3-sulfonamide IUPAC Name: 2-(1,3-benzodioxol-5-ylmethyl)-N-(4-chloro-3-methyl-1,2-oxazol-5-yl)-5-(dimethylamino)-1-benzothiophene-3-sulfonamide Traditional Name: N-(4-chloro-3-methyl-isoxazol-5-yl)-5-(dimethylamino)-2-piperonyl-benzothiophene-3-sulfonamide Formula: C22H20ClN3O5S2 MolecularWeight: 505.9943

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1Cl)NS(=O)(=O)C2=C(SC3=C2C=C(C=C3)N(C)C)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=NOC(=C1Cl)NS(=O)(=O)C2=C(SC3=C2C=C(C=C3)N(C)C)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C22H20ClN3O5S2/c1-12-20(23)22(31-24-12)25-33(27,28)21-15-10-14(26(2)3)5-7-18(15)32-19(21)9-13-4-6-16-17(8-13)30-11-29-16/h4-8,10,25H,9,11H2,1-3H3