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

Systemtic Name: N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-4-chloranyl-3-morpholin-4-ylsulfonyl-benzamide Openeye Name: N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-4-chloro-3-morpholinosulfonyl-benzamide CAS Name: N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-4-chloro-3-(4-morpholinylsulfonyl)benzamide IUPAC Name: N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-4-chloro-3-morpholin-4-ylsulfonylbenzamide Traditional Name: N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-4-chloro-3-morpholinosulfonyl-benzamide Formula: C23H27ClN4O4S2 MolecularWeight: 523.06788

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27ClN4O4S2/c24-18-2-1-17(10-19(18)34(30,31)28-3-5-32-6-4-28)20(29)25-22-27-26-21(33-22)23-11-14-7-15(12-23)9-16(8-14)13-23/h1-2,10,14-16H,3-9,11-13H2,(H,25,27,29)