N-(6-pyrrolidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)adamantane-1-carboxamide

Systemtic Name: N-(6-pyrrolidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)adamantane-1-carboxamide Openeye Name: N-(6-pyrrolidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)adamantane-1-carboxamide CAS Name: N-[6-(1-pyrrolidinylsulfonyl)-1,3-benzothiazol-2-yl]-1-adamantanecarboxamide IUPAC Name: N-(6-pyrrolidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)adamantane-1-carboxamide Traditional Name: N-(6-pyrrolidinosulfonyl-1,3-benzothiazol-2-yl)adamantane-1-carboxamide Formula: C22H27N3O3S2 MolecularWeight: 445.59808

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC3=C(C=C2)N=C(S3)NC(=O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC3=C(C=C2)N=C(S3)NC(=O)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C22H27N3O3S2/c26-20(22-11-14-7-15(12-22)9-16(8-14)13-22)24-21-23-18-4-3-17(10-19(18)29-21)30(27,28)25-5-1-2-6-25/h3-4,10,14-16H,1-2,5-9,11-13H2,(H,23,24,26)