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

Systemtic Name: 4-tert-butyl-N-[5-[2-(4-chlorophenyl)sulfonylethyl]-1,3,4-thiadiazol-2-yl]benzamide Openeye Name: 4-tert-butyl-N-[5-[2-(4-chlorophenyl)sulfonylethyl]-1,3,4-thiadiazol-2-yl]benzamide CAS Name: 4-tert-butyl-N-[5-[2-(4-chlorophenyl)sulfonylethyl]-1,3,4-thiadiazol-2-yl]benzamide IUPAC Name: 4-tert-butyl-N-[5-[2-(4-chlorophenyl)sulfonylethyl]-1,3,4-thiadiazol-2-yl]benzamide Traditional Name: 4-tert-butyl-N-[5-[2-(4-chlorophenyl)sulfonylethyl]-1,3,4-thiadiazol-2-yl]benzamide Formula: C21H22ClN3O3S2 MolecularWeight: 464.00068

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22ClN3O3S2/c1-21(2,3)15-6-4-14(5-7-15)19(26)23-20-25-24-18(29-20)12-13-30(27,28)17-10-8-16(22)9-11-17/h4-11H,12-13H2,1-3H3,(H,23,25,26)