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

Systemtic Name: N-[2-(1,3-benzodioxol-5-ylsulfonyl)-2-pyridin-3-yl-ethyl]-3-methoxy-benzamide Openeye Name: N-[2-(1,3-benzodioxol-5-ylsulfonyl)-2-(3-pyridyl)ethyl]-3-methoxy-benzamide CAS Name: N-[2-(1,3-benzodioxol-5-ylsulfonyl)-2-(3-pyridinyl)ethyl]-3-methoxybenzamide IUPAC Name: N-[2-(1,3-benzodioxol-5-ylsulfonyl)-2-pyridin-3-ylethyl]-3-methoxybenzamide Traditional Name: N-[2-(1,3-benzodioxol-5-ylsulfonyl)-2-(3-pyridyl)ethyl]-3-methoxy-benzamide Formula: C22H20N2O6S MolecularWeight: 440.469

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)NCC(C2=CN=CC=C2)S(=O)(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)NCC(C2=CN=CC=C2)S(=O)(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H20N2O6S/c1-28-17-6-2-4-15(10-17)22(25)24-13-21(16-5-3-9-23-12-16)31(26,27)18-7-8-19-20(11-18)30-14-29-19/h2-12,21H,13-14H2,1H3,(H,24,25)