N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-1-quinolin-8-ylsulfonyl-pyrrolidine-2-carboxamide

Systemtic Name: N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-1-quinolin-8-ylsulfonyl-pyrrolidine-2-carboxamide Openeye Name: N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-1-(8-quinolylsulfonyl)pyrrolidine-2-carboxamide CAS Name: N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-1-(8-quinolinylsulfonyl)-2-pyrrolidinecarboxamide IUPAC Name: N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-1-quinolin-8-ylsulfonylpyrrolidine-2-carboxamide Traditional Name: N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-1-(8-quinolylsulfonyl)pyrrolidine-2-carboxamide Formula: C22H18BrN5O3S2 MolecularWeight: 544.44402

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)S(=O)(=O)C2=CC=CC3=C2N=CC=C3)C(=O)NC4=NN=C(S4)C5=CC=C(C=C5)Br

Isomeric SMILES

C1CC(N(C1)S(=O)(=O)C2=CC=CC3=C2N=CC=C3)C(=O)NC4=NN=C(S4)C5=CC=C(C=C5)Br

InChI

InChI=1S/C22H18BrN5O3S2/c23-16-10-8-15(9-11-16)21-26-27-22(32-21)25-20(29)17-6-3-13-28(17)33(30,31)18-7-1-4-14-5-2-12-24-19(14)18/h1-2,4-5,7-12,17H,3,6,13H2,(H,25,27,29)