N-[2-(1,3-benzodioxol-5-yl)-2-thiophen-2-ylsulfonyl-ethyl]-3-phenyl-propanamide

Systemtic Name: N-[2-(1,3-benzodioxol-5-yl)-2-thiophen-2-ylsulfonyl-ethyl]-3-phenyl-propanamide Openeye Name: N-[2-(1,3-benzodioxol-5-yl)-2-(2-thienylsulfonyl)ethyl]-3-phenyl-propanamide CAS Name: N-[2-(1,3-benzodioxol-5-yl)-2-thiophen-2-ylsulfonylethyl]-3-phenylpropanamide IUPAC Name: N-[2-(1,3-benzodioxol-5-yl)-2-thiophen-2-ylsulfonylethyl]-3-phenylpropanamide Traditional Name: N-[2-(1,3-benzodioxol-5-yl)-2-(2-thienylsulfonyl)ethyl]-3-phenyl-propionamide Formula: C22H21NO5S2 MolecularWeight: 443.53584

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(CNC(=O)CCC3=CC=CC=C3)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(CNC(=O)CCC3=CC=CC=C3)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C22H21NO5S2/c24-21(11-8-16-5-2-1-3-6-16)23-14-20(30(25,26)22-7-4-12-29-22)17-9-10-18-19(13-17)28-15-27-18/h1-7,9-10,12-13,20H,8,11,14-15H2,(H,23,24)