N-[2-(1,3-benzodioxol-5-yl)-2-thiophen-2-ylsulfonyl-ethyl]-3,4-dimethoxy-benzamide

Systemtic Name: N-[2-(1,3-benzodioxol-5-yl)-2-thiophen-2-ylsulfonyl-ethyl]-3,4-dimethoxy-benzamide Openeye Name: N-[2-(1,3-benzodioxol-5-yl)-2-(2-thienylsulfonyl)ethyl]-3,4-dimethoxy-benzamide CAS Name: N-[2-(1,3-benzodioxol-5-yl)-2-thiophen-2-ylsulfonylethyl]-3,4-dimethoxybenzamide IUPAC Name: N-[2-(1,3-benzodioxol-5-yl)-2-thiophen-2-ylsulfonylethyl]-3,4-dimethoxybenzamide Traditional Name: N-[2-(1,3-benzodioxol-5-yl)-2-(2-thienylsulfonyl)ethyl]-3,4-dimethoxy-benzamide Formula: C22H21NO7S2 MolecularWeight: 475.53464

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NCC(C2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=CC=CS4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NCC(C2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=CC=CS4)OC

InChI

InChI=1S/C22H21NO7S2/c1-27-16-7-6-15(11-18(16)28-2)22(24)23-12-20(32(25,26)21-4-3-9-31-21)14-5-8-17-19(10-14)30-13-29-17/h3-11,20H,12-13H2,1-2H3,(H,23,24)