N-[3-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)amino]-3-oxidanylidene-propyl]adamantane-1-carboxamide

Systemtic Name: N-[3-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)amino]-3-oxidanylidene-propyl]adamantane-1-carboxamide Openeye Name: N-[3-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)amino]-3-oxo-propyl]adamantane-1-carboxamide CAS Name: N-[3-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)amino]-3-oxopropyl]-1-adamantanecarboxamide IUPAC Name: N-[3-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)amino]-3-oxopropyl]adamantane-1-carboxamide Traditional Name: N-[3-keto-3-[(6-mesyl-1,3-benzothiazol-2-yl)amino]propyl]adamantane-1-carboxamide Formula: C22H27N3O4S2 MolecularWeight: 461.59748

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)CCNC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)CCNC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C22H27N3O4S2/c1-31(28,29)16-2-3-17-18(9-16)30-21(24-17)25-19(26)4-5-23-20(27)22-10-13-6-14(11-22)8-15(7-13)12-22/h2-3,9,13-15H,4-8,10-12H2,1H3,(H,23,27)(H,24,25,26)