N-(2-dimethylaminoethyl)-N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)adamantane-1-carboxamide

Systemtic Name: N-(2-dimethylaminoethyl)-N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)adamantane-1-carboxamide Openeye Name: N-(2-dimethylaminoethyl)-N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)adamantane-1-carboxamide CAS Name: N-(2-dimethylaminoethyl)-N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)-1-adamantanecarboxamide IUPAC Name: N-(2-dimethylaminoethyl)-N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)adamantane-1-carboxamide Traditional Name: N-(2-dimethylaminoethyl)-N-(4-mesyl-1,3-benzothiazol-2-yl)adamantane-1-carboxamide Formula: C23H31N3O3S2 MolecularWeight: 461.64054

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCN(C1=NC2=C(S1)C=CC=C2S(=O)(=O)C)C(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CN(C)CCN(C1=NC2=C(S1)C=CC=C2S(=O)(=O)C)C(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C23H31N3O3S2/c1-25(2)7-8-26(21(27)23-12-15-9-16(13-23)11-17(10-15)14-23)22-24-20-18(30-22)5-4-6-19(20)31(3,28)29/h4-6,15-17H,7-14H2,1-3H3