N-[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-1-(4-bromophenyl)sulfonyl-pyrrolidine-2-carboxamide

Systemtic Name: N-[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-1-(4-bromophenyl)sulfonyl-pyrrolidine-2-carboxamide Openeye Name: N-[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-1-(4-bromophenyl)sulfonyl-pyrrolidine-2-carboxamide CAS Name: N-[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-1-(4-bromophenyl)sulfonyl-2-pyrrolidinecarboxamide IUPAC Name: N-[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-1-(4-bromophenyl)sulfonylpyrrolidine-2-carboxamide Traditional Name: N-[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-1-brosyl-pyrrolidine-2-carboxamide Formula: C20H17BrN4O5S2 MolecularWeight: 537.40678

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)S(=O)(=O)C2=CC=C(C=C2)Br)C(=O)NC3=NN=C(S3)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CC(N(C1)S(=O)(=O)C2=CC=C(C=C2)Br)C(=O)NC3=NN=C(S3)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C20H17BrN4O5S2/c21-13-4-6-14(7-5-13)32(27,28)25-9-1-2-15(25)18(26)22-20-24-23-19(31-20)12-3-8-16-17(10-12)30-11-29-16/h3-8,10,15H,1-2,9,11H2,(H,22,24,26)