2-butylsulfanyl-N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-yl-phenyl)ethanamide

Systemtic Name: 2-butylsulfanyl-N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-yl-phenyl)ethanamide Openeye Name: 2-butylsulfanyl-N-[5-morpholinosulfonyl-2-(1-piperidyl)phenyl]acetamide CAS Name: 2-(butylthio)-N-[5-(4-morpholinylsulfonyl)-2-(1-piperidinyl)phenyl]acetamide IUPAC Name: 2-butylsulfanyl-N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)acetamide Traditional Name: 2-(butylthio)-N-(5-morpholinosulfonyl-2-piperidino-phenyl)acetamide Formula: C21H33N3O4S2 MolecularWeight: 455.63442

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSCC(=O)NC1=C(C=CC(=C1)S(=O)(=O)N2CCOCC2)N3CCCCC3

Isomeric SMILES

CCCCSCC(=O)NC1=C(C=CC(=C1)S(=O)(=O)N2CCOCC2)N3CCCCC3

InChI

InChI=1S/C21H33N3O4S2/c1-2-3-15-29-17-21(25)22-19-16-18(30(26,27)24-11-13-28-14-12-24)7-8-20(19)23-9-5-4-6-10-23/h7-8,16H,2-6,9-15,17H2,1H3,(H,22,25)