N-(1,3-benzodioxol-5-ylmethyl)-2-[(5-bromanylthiophen-2-yl)sulfonylamino]-3-phenyl-propanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(5-bromanylthiophen-2-yl)sulfonylamino]-3-phenyl-propanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(5-bromo-2-thienyl)sulfonylamino]-3-phenyl-propanamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(5-bromo-2-thiophenyl)sulfonylamino]-3-phenylpropanamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(5-bromothiophen-2-yl)sulfonylamino]-3-phenylpropanamide Traditional Name: 2-[(5-bromo-2-thienyl)sulfonylamino]-3-phenyl-N-piperonyl-propionamide Formula: C21H19BrN2O5S2 MolecularWeight: 523.41996

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=O)C(CC3=CC=CC=C3)NS(=O)(=O)C4=CC=C(S4)Br

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)C(CC3=CC=CC=C3)NS(=O)(=O)C4=CC=C(S4)Br

InChI

InChI=1S/C21H19BrN2O5S2/c22-19-8-9-20(30-19)31(26,27)24-16(10-14-4-2-1-3-5-14)21(25)23-12-15-6-7-17-18(11-15)29-13-28-17/h1-9,11,16,24H,10,12-13H2,(H,23,25)