N-[3-(phenylmethyl)sulfonyl-1,2,4-thiadiazol-5-yl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[3-(phenylmethyl)sulfonyl-1,2,4-thiadiazol-5-yl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-(3-benzylsulfonyl-1,2,4-thiadiazol-5-yl)-1,3-benzodioxole-5-carboxamide CAS Name: N-[3-(phenylmethyl)sulfonyl-1,2,4-thiadiazol-5-yl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-(3-benzylsulfonyl-1,2,4-thiadiazol-5-yl)-1,3-benzodioxole-5-carboxamide Traditional Name: N-(3-benzylsulfonyl-1,2,4-thiadiazol-5-yl)-piperonylamide Formula: C17H13N3O5S2 MolecularWeight: 403.43222

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(=O)NC3=NC(=NS3)S(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(=O)NC3=NC(=NS3)S(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C17H13N3O5S2/c21-15(12-6-7-13-14(8-12)25-10-24-13)18-16-19-17(20-26-16)27(22,23)9-11-4-2-1-3-5-11/h1-8H,9-10H2,(H,18,19,20,21)