N-[5-[2-(4-methylphenyl)sulfonylethyl]-1,3,4-thiadiazol-2-yl]adamantane-1-carboxamide

Systemtic Name: N-[5-[2-(4-methylphenyl)sulfonylethyl]-1,3,4-thiadiazol-2-yl]adamantane-1-carboxamide Openeye Name: N-[5-[2-(p-tolylsulfonyl)ethyl]-1,3,4-thiadiazol-2-yl]adamantane-1-carboxamide CAS Name: N-[5-[2-(4-methylphenyl)sulfonylethyl]-1,3,4-thiadiazol-2-yl]-1-adamantanecarboxamide IUPAC Name: N-[5-[2-(4-methylphenyl)sulfonylethyl]-1,3,4-thiadiazol-2-yl]adamantane-1-carboxamide Traditional Name: N-[5-(2-tosylethyl)-1,3,4-thiadiazol-2-yl]adamantane-1-carboxamide Formula: C22H27N3O3S2 MolecularWeight: 445.59808

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CCC2=NN=C(S2)NC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCC2=NN=C(S2)NC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C22H27N3O3S2/c1-14-2-4-18(5-3-14)30(27,28)7-6-19-24-25-21(29-19)23-20(26)22-11-15-8-16(12-22)10-17(9-15)13-22/h2-5,15-17H,6-13H2,1H3,(H,23,25,26)