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

Systemtic Name: N-[2-(1,3-benzodioxol-5-ylsulfonyl)-2-pyridin-3-yl-ethyl]-5-methyl-thiophene-2-sulfonamide Openeye Name: N-[2-(1,3-benzodioxol-5-ylsulfonyl)-2-(3-pyridyl)ethyl]-5-methyl-thiophene-2-sulfonamide CAS Name: N-[2-(1,3-benzodioxol-5-ylsulfonyl)-2-(3-pyridinyl)ethyl]-5-methyl-2-thiophenesulfonamide IUPAC Name: N-[2-(1,3-benzodioxol-5-ylsulfonyl)-2-pyridin-3-ylethyl]-5-methylthiophene-2-sulfonamide Traditional Name: N-[2-(1,3-benzodioxol-5-ylsulfonyl)-2-(3-pyridyl)ethyl]-5-methyl-thiophene-2-sulfonamide Formula: C19H18N2O6S3 MolecularWeight: 466.55102

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)S(=O)(=O)NCC(C2=CN=CC=C2)S(=O)(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CC=C(S1)S(=O)(=O)NCC(C2=CN=CC=C2)S(=O)(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C19H18N2O6S3/c1-13-4-7-19(28-13)30(24,25)21-11-18(14-3-2-8-20-10-14)29(22,23)15-5-6-16-17(9-15)27-12-26-16/h2-10,18,21H,11-12H2,1H3