5-bromanyl-2,5-dimethyl-3-phenylmethoxy-4-pyrazin-2-yl-thiolane-3-sulfonamide

Systemtic Name: 5-bromanyl-2,5-dimethyl-3-phenylmethoxy-4-pyrazin-2-yl-thiolane-3-sulfonamide Openeye Name: 3-benzyloxy-5-bromo-2,5-dimethyl-4-pyrazin-2-yl-tetrahydrothiophene-3-sulfonamide CAS Name: 5-bromo-2,5-dimethyl-3-phenylmethoxy-4-(2-pyrazinyl)-3-thiolanesulfonamide IUPAC Name: 5-bromo-2,5-dimethyl-3-phenylmethoxy-4-pyrazin-2-ylthiolane-3-sulfonamide Traditional Name: 3-benzoxy-5-bromo-2,5-dimethyl-4-pyrazin-2-yl-tetrahydrothiophene-3-sulfonamide Formula: C17H20BrN3O3S2 MolecularWeight: 458.393

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(S1)(C)Br)C2=NC=CN=C2)(OCC3=CC=CC=C3)S(=O)(=O)N

Isomeric SMILES

CC1C(C(C(S1)(C)Br)C2=NC=CN=C2)(OCC3=CC=CC=C3)S(=O)(=O)N

InChI

InChI=1S/C17H20BrN3O3S2/c1-12-17(26(19,22)23,24-11-13-6-4-3-5-7-13)15(16(2,18)25-12)14-10-20-8-9-21-14/h3-10,12,15H,11H2,1-2H3,(H2,19,22,23)