N-[5-[2-(4-bromophenyl)sulfonylethyl]-1,3,4-thiadiazol-2-yl]-3,5-ditert-butyl-benzamide

Systemtic Name: N-[5-[2-(4-bromophenyl)sulfonylethyl]-1,3,4-thiadiazol-2-yl]-3,5-ditert-butyl-benzamide Openeye Name: N-[5-[2-(4-bromophenyl)sulfonylethyl]-1,3,4-thiadiazol-2-yl]-3,5-ditert-butyl-benzamide CAS Name: N-[5-[2-(4-bromophenyl)sulfonylethyl]-1,3,4-thiadiazol-2-yl]-3,5-ditert-butylbenzamide IUPAC Name: N-[5-[2-(4-bromophenyl)sulfonylethyl]-1,3,4-thiadiazol-2-yl]-3,5-ditert-butylbenzamide Traditional Name: N-[5-(2-brosylethyl)-1,3,4-thiadiazol-2-yl]-3,5-ditert-butyl-benzamide Formula: C25H30BrN3O3S2 MolecularWeight: 564.558

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1)C(=O)NC2=NN=C(S2)CCS(=O)(=O)C3=CC=C(C=C3)Br)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1)C(=O)NC2=NN=C(S2)CCS(=O)(=O)C3=CC=C(C=C3)Br)C(C)(C)C

InChI

InChI=1S/C25H30BrN3O3S2/c1-24(2,3)17-13-16(14-18(15-17)25(4,5)6)22(30)27-23-29-28-21(33-23)11-12-34(31,32)20-9-7-19(26)8-10-20/h7-10,13-15H,11-12H2,1-6H3,(H,27,29,30)