N-(1,3-benzodioxol-5-yl)-2-[(4-bromophenyl)sulfonyl-phenethyl-amino]ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-[(4-bromophenyl)sulfonyl-phenethyl-amino]ethanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-[(4-bromophenyl)sulfonyl-phenethyl-amino]acetamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[(4-bromophenyl)sulfonyl-phenethylamino]acetamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-[(4-bromophenyl)sulfonyl-phenethylamino]acetamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-[brosyl(phenethyl)amino]acetamide Formula: C23H21BrN2O5S MolecularWeight: 517.39224

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC(=O)CN(CCC3=CC=CC=C3)S(=O)(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC(=O)CN(CCC3=CC=CC=C3)S(=O)(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C23H21BrN2O5S/c24-18-6-9-20(10-7-18)32(28,29)26(13-12-17-4-2-1-3-5-17)15-23(27)25-19-8-11-21-22(14-19)31-16-30-21/h1-11,14H,12-13,15-16H2,(H,25,27)