N-[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-3-phenyl-2-(quinolin-8-ylsulfonylamino)propanamide

Systemtic Name: N-[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-3-phenyl-2-(quinolin-8-ylsulfonylamino)propanamide Openeye Name: N-[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-3-phenyl-2-(8-quinolylsulfonylamino)propanamide CAS Name: N-[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-3-phenyl-2-(8-quinolinylsulfonylamino)propanamide IUPAC Name: N-[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-3-phenyl-2-(quinolin-8-ylsulfonylamino)propanamide Traditional Name: N-[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-3-phenyl-2-(8-quinolylsulfonylamino)propionamide Formula: C27H21N5O5S2 MolecularWeight: 559.61614

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=NN=C(S3)NC(=O)C(CC4=CC=CC=C4)NS(=O)(=O)C5=CC=CC6=C5N=CC=C6

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=NN=C(S3)NC(=O)C(CC4=CC=CC=C4)NS(=O)(=O)C5=CC=CC6=C5N=CC=C6

InChI

InChI=1S/C27H21N5O5S2/c33-25(29-27-31-30-26(38-27)19-11-12-21-22(15-19)37-16-36-21)20(14-17-6-2-1-3-7-17)32-39(34,35)23-10-4-8-18-9-5-13-28-24(18)23/h1-13,15,20,32H,14,16H2,(H,29,31,33)