2-tert-butylsulfanyl-N-[2-(diethylamino)-5-piperidin-1-ylsulfonyl-phenyl]ethanamide

Systemtic Name: 2-tert-butylsulfanyl-N-[2-(diethylamino)-5-piperidin-1-ylsulfonyl-phenyl]ethanamide Openeye Name: 2-tert-butylsulfanyl-N-[2-(diethylamino)-5-(1-piperidylsulfonyl)phenyl]acetamide CAS Name: 2-(tert-butylthio)-N-[2-(diethylamino)-5-(1-piperidinylsulfonyl)phenyl]acetamide IUPAC Name: 2-tert-butylsulfanyl-N-[2-(diethylamino)-5-piperidin-1-ylsulfonylphenyl]acetamide Traditional Name: 2-(tert-butylthio)-N-[2-(diethylamino)-5-piperidinosulfonyl-phenyl]acetamide Formula: C21H35N3O3S2 MolecularWeight: 441.6509

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)CSC(C)(C)C

Isomeric SMILES

CCN(CC)C1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)CSC(C)(C)C

InChI

InChI=1S/C21H35N3O3S2/c1-6-23(7-2)19-12-11-17(29(26,27)24-13-9-8-10-14-24)15-18(19)22-20(25)16-28-21(3,4)5/h11-12,15H,6-10,13-14,16H2,1-5H3,(H,22,25)