N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-4-morpholin-4-ylsulfonyl-benzamide

Systemtic Name: N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-4-morpholin-4-ylsulfonyl-benzamide Openeye Name: N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-4-morpholinosulfonyl-benzamide CAS Name: N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-4-(4-morpholinylsulfonyl)benzamide IUPAC Name: N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-4-morpholin-4-ylsulfonylbenzamide Traditional Name: N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-4-morpholinosulfonyl-benzamide Formula: C23H28N4O4S2 MolecularWeight: 488.62282

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=NN=C(S3)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=NN=C(S3)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C23H28N4O4S2/c28-20(18-1-3-19(4-2-18)33(29,30)27-5-7-31-8-6-27)24-22-26-25-21(32-22)23-12-15-9-16(13-23)11-17(10-15)14-23/h1-4,15-17H,5-14H2,(H,24,26,28)