N-[2-(1,3-benzodioxol-5-ylsulfonyl)-2-pyridin-3-yl-ethyl]thiophene-2-sulfonamide

Systemtic Name: N-[2-(1,3-benzodioxol-5-ylsulfonyl)-2-pyridin-3-yl-ethyl]thiophene-2-sulfonamide Openeye Name: N-[2-(1,3-benzodioxol-5-ylsulfonyl)-2-(3-pyridyl)ethyl]thiophene-2-sulfonamide CAS Name: N-[2-(1,3-benzodioxol-5-ylsulfonyl)-2-(3-pyridinyl)ethyl]-2-thiophenesulfonamide IUPAC Name: N-[2-(1,3-benzodioxol-5-ylsulfonyl)-2-pyridin-3-ylethyl]thiophene-2-sulfonamide Traditional Name: N-[2-(1,3-benzodioxol-5-ylsulfonyl)-2-(3-pyridyl)ethyl]thiophene-2-sulfonamide Formula: C18H16N2O6S3 MolecularWeight: 452.52444

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)S(=O)(=O)C(CNS(=O)(=O)C3=CC=CS3)C4=CN=CC=C4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)S(=O)(=O)C(CNS(=O)(=O)C3=CC=CS3)C4=CN=CC=C4

InChI

InChI=1S/C18H16N2O6S3/c21-28(22,14-5-6-15-16(9-14)26-12-25-15)17(13-3-1-7-19-10-13)11-20-29(23,24)18-4-2-8-27-18/h1-10,17,20H,11-12H2