N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-pyridin-3-yl-ethyl]-5-ethyl-thiophene-2-sulfonamide

Systemtic Name: N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-pyridin-3-yl-ethyl]-5-ethyl-thiophene-2-sulfonamide Openeye Name: N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(3-pyridyl)ethyl]-5-ethyl-thiophene-2-sulfonamide CAS Name: N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(3-pyridinyl)ethyl]-5-ethyl-2-thiophenesulfonamide IUPAC Name: N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-pyridin-3-ylethyl]-5-ethylthiophene-2-sulfonamide Traditional Name: N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(3-pyridyl)ethyl]-5-ethyl-thiophene-2-sulfonamide Formula: C21H22N2O6S3 MolecularWeight: 494.60418

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(S1)S(=O)(=O)NCC(C2=CN=CC=C2)S(=O)(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CCC1=CC=C(S1)S(=O)(=O)NCC(C2=CN=CC=C2)S(=O)(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C21H22N2O6S3/c1-2-16-5-8-21(30-16)32(26,27)23-14-20(15-4-3-9-22-13-15)31(24,25)17-6-7-18-19(12-17)29-11-10-28-18/h3-9,12-13,20,23H,2,10-11,14H2,1H3