N-[6-(dibutylsulfamoyl)-1,3-benzothiazol-2-yl]adamantane-1-carboxamide

Systemtic Name: N-[6-(dibutylsulfamoyl)-1,3-benzothiazol-2-yl]adamantane-1-carboxamide Openeye Name: N-[6-(dibutylsulfamoyl)-1,3-benzothiazol-2-yl]adamantane-1-carboxamide CAS Name: N-[6-(dibutylsulfamoyl)-1,3-benzothiazol-2-yl]-1-adamantanecarboxamide IUPAC Name: N-[6-(dibutylsulfamoyl)-1,3-benzothiazol-2-yl]adamantane-1-carboxamide Traditional Name: N-[6-(dibutylsulfamoyl)-1,3-benzothiazol-2-yl]adamantane-1-carboxamide Formula: C26H37N3O3S2 MolecularWeight: 503.72028

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)S(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCCCN(CCCC)S(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C26H37N3O3S2/c1-3-5-9-29(10-6-4-2)34(31,32)21-7-8-22-23(14-21)33-25(27-22)28-24(30)26-15-18-11-19(16-26)13-20(12-18)17-26/h7-8,14,18-20H,3-6,9-13,15-17H2,1-2H3,(H,27,28,30)