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

Systemtic Name: N-[2-(1,3-benzodioxol-5-yl)-2-thiophen-2-ylsulfonyl-ethyl]-2-phenyl-ethanesulfonamide Openeye Name: N-[2-(1,3-benzodioxol-5-yl)-2-(2-thienylsulfonyl)ethyl]-2-phenyl-ethanesulfonamide CAS Name: N-[2-(1,3-benzodioxol-5-yl)-2-thiophen-2-ylsulfonylethyl]-2-phenylethanesulfonamide IUPAC Name: N-[2-(1,3-benzodioxol-5-yl)-2-thiophen-2-ylsulfonylethyl]-2-phenylethanesulfonamide Traditional Name: N-[2-(1,3-benzodioxol-5-yl)-2-(2-thienylsulfonyl)ethyl]-2-phenyl-ethanesulfonamide Formula: C21H21NO6S3 MolecularWeight: 479.58954

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21NO6S3/c23-30(24,12-10-16-5-2-1-3-6-16)22-14-20(31(25,26)21-7-4-11-29-21)17-8-9-18-19(13-17)28-15-27-18/h1-9,11,13,20,22H,10,12,14-15H2