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

Systemtic Name: N-[2-(1,3-benzodioxol-5-yl)-2-thiophen-2-ylsulfonyl-ethyl]-4-chloranyl-benzamide Openeye Name: N-[2-(1,3-benzodioxol-5-yl)-2-(2-thienylsulfonyl)ethyl]-4-chloro-benzamide CAS Name: N-[2-(1,3-benzodioxol-5-yl)-2-thiophen-2-ylsulfonylethyl]-4-chlorobenzamide IUPAC Name: N-[2-(1,3-benzodioxol-5-yl)-2-thiophen-2-ylsulfonylethyl]-4-chlorobenzamide Traditional Name: N-[2-(1,3-benzodioxol-5-yl)-2-(2-thienylsulfonyl)ethyl]-4-chloro-benzamide Formula: C20H16ClNO5S2 MolecularWeight: 449.92774

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H16ClNO5S2/c21-15-6-3-13(4-7-15)20(23)22-11-18(29(24,25)19-2-1-9-28-19)14-5-8-16-17(10-14)27-12-26-16/h1-10,18H,11-12H2,(H,22,23)